CAS 33456-68-7

Chemistry, 2 End Use API, 3 Related Intermediates

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Also known as: 33456-68-7, 4-(2-(7-methoxy-4,4-dimethyl-1,3-dioxo-3,4-dihydroisoquinolin-2(1h)-yl)ethyl)benzenesulfonamide, P-[2-(3,4-dihydro-7-methoxy-4,4-dimethyl-1,3-dioxo-2(1h)-isoquinolyl)ethyl]benzenesulphonamide, 4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxoisoquinolin-2-yl)ethyl]benzenesulfonamide, Einecs 251-529-0, 4-[2-(3,4-dihydro-7-methoxy-4,4-dimethyl-1,3-dioxo-2(1h)-isoquinolinyl)ethyl]benzenesulfonamide

Molecular Formula

C₂₀H₂₂N₂O₅S

Molecular Weight

402.5 g/mol

InChI Key

YJHGEYXLMLMFCF-UHFFFAOYSA-N

1 2D Structure

CAS 33456-68-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxoisoquinolin-2-yl)ethyl]benzenesulfonamide

2.1.2 InChI

InChI=1S/C20H22N2O5S/c1-20(2)17-9-6-14(27-3)12-16(17)18(23)22(19(20)24)11-10-13-4-7-15(8-5-13)28(21,25)26/h4-9,12H,10-11H2,1-3H3,(H2,21,25,26)

2.1.3 InChI Key

YJHGEYXLMLMFCF-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1(C2=C(C=C(C=C2)OC)C(=O)N(C1=O)CCC3=CC=C(C=C3)S(=O)(=O)N)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 33456-68-7

2. 4-(2-(7-methoxy-4,4-dimethyl-1,3-dioxo-3,4-dihydroisoquinolin-2(1h)-yl)ethyl)benzenesulfonamide

3. P-[2-(3,4-dihydro-7-methoxy-4,4-dimethyl-1,3-dioxo-2(1h)-isoquinolyl)ethyl]benzenesulphonamide

4. 4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxoisoquinolin-2-yl)ethyl]benzenesulfonamide

5. Einecs 251-529-0

6. 4-[2-(3,4-dihydro-7-methoxy-4,4-dimethyl-1,3-dioxo-2(1h)-isoquinolinyl)ethyl]benzenesulfonamide

7. Gliquidone Sulfonamide

8. Ec 251-529-0

9. Schembl18007713

10. Dtxsid60187104

11. Zinc5765911

12. Akos015900368

13. Ac-23363

14. Ft-0652053

15. A821784

16. N-(2-(4-sulfonamidylphenyl)ethyl)-4,4-dimethyl-7-methoxy-1,2,3,4-tetrahydroisoquinoline-1,3-dione

17. P-[2-(3,4-dihydro-7-methoxy-4,4-dimethyl-1,3-dioxo-2(1h)isoquinolyl)ethyl]benzenesulphonamide

18. P-[2-[(3,4-dihydro-7-methoxy-4,4-dimethyl-1,3-dioxo-1h-isoquinolin)-2-yl]ethyl]benzenesulfonamide

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₂N₂O₅S
Molecular Weight	402.5 g/mol
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	402.12494298 g/mol
Monoisotopic Mass	402.12494298 g/mol
Topological Polar Surface Area	115 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	707
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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4-(2-Aminoethyl)benzenesulfonamide

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35303-76-5

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Gliquidone

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Medilux Laboratories has been providing quality back-end support to the pharmaceutical industry since our...

Medilux Laboratories has been providing quality back-end support to the pharmaceutical industry since our inception in 1988. Our resources are dedicated to promoting better health through products that offer superior value. Located in Pithampur, Madhya Pradesh, Medilux Laboratories is committed to strategic research, delivering a complex range of globally benchmarked chemistries. Our products and services are rapidly making strides in the global pharmaceutical space, giving us the impetus to constantly strive for excellence and provide quality customer service.

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7-Methoxy-4,4-dimethyl-1,3-isochromandione

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Ningbo Chemgoo is a R&D-driven company with core technology of organic chemistry, dedicating in technolog...

Ningbo Chemgoo is a R&D-driven company with core technology of organic chemistry, dedicating in technology development and industrialization. We provide intermediates from gram scale to hundreds of Kg to domestic and abroad customers in pharmaceutical area. The R&D center occupies around 3,000m2, equipped with gram scale labs, pilot labs, analysis center, safety assessment lab and platform for flow chemistry. The company has successfully developed more than 60 projects. The main products of Telmisartan intermediates widely win good reputation in markets.

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Syntame is a Pharm- Heatlh technology company jointly sponsored by two PhD from Hong Kong Polytechnic Uni...

Syntame is a Pharm- Heatlh technology company jointly sponsored by two PhD from Hong Kong Polytechnic University & Zhejiang University. We always focus on the market & customer needs, committee to researching, developing & marketing innovative products & services of pharmaceutical & health. Our Pharmaceutical Division: Committed to the R&D, promotion, distribution of APIs & intermediates, to provide various innovative products & technical solutions for China & global pharmaceutical markets. Our Health Division: Continuously tapping the natural active ingredients, combining traditional Chinese medicine theory, to develop functional foods.

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