CAS 149436-41-9

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Also known as: 149436-41-9, Methanesulfonamide, n-[4-(2-aminoacetyl)-5-methoxy-2-phenoxyphenyl]-, hydrochloride (1:1), N-(4-(2-aminoacetyl)-5-methoxy-2-phenoxyphenyl)methanesulfonamide hcl, N-[4-(2-aminoacetyl)-5-methoxy-2-phenoxyphenyl]methanesulfonamide;hydrochloride, C16h19cln2o5s, 2-amino-1-(2-methoxy-4-methanesulfonylamino-5-phenoxyphenyl)ethanone hydrochloride

Molecular Formula

C₁₆H₁₉ClN₂O₅S

Molecular Weight

386.9 g/mol

InChI Key

NWUBXODWWYGUHS-UHFFFAOYSA-N

1 2D Structure

CAS 149436-41-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[4-(2-aminoacetyl)-5-methoxy-2-phenoxyphenyl]methanesulfonamide;hydrochloride

2.1.2 InChI

InChI=1S/C16H18N2O5S.ClH/c1-22-15-9-13(18-24(2,20)21)16(8-12(15)14(19)10-17)23-11-6-4-3-5-7-11;/h3-9,18H,10,17H2,1-2H3;1H

2.1.3 InChI Key

NWUBXODWWYGUHS-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC(=C(C=C1C(=O)CN)OC2=CC=CC=C2)NS(=O)(=O)C.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 149436-41-9

2. Methanesulfonamide, N-[4-(2-aminoacetyl)-5-methoxy-2-phenoxyphenyl]-, Hydrochloride (1:1)

3. N-(4-(2-aminoacetyl)-5-methoxy-2-phenoxyphenyl)methanesulfonamide Hcl

4. N-[4-(2-aminoacetyl)-5-methoxy-2-phenoxyphenyl]methanesulfonamide;hydrochloride

5. C16h19cln2o5s

6. 2-amino-1-(2-methoxy-4-methanesulfonylamino-5-phenoxyphenyl)ethanone Hydrochloride

7. Dtxsid30657703

8. Nwubxodwwyguhs-uhfffaoysa-n

9. Mfcd12911398

10. Akos015888750

11. Sb83703

12. N-(4-(2-aminoacetyl)-5-methoxy-2-phenoxyphenyl)-methanesulfonamide Hydrochloride

13. Ds-18533

14. Am20090783

15. Cs-0150601

16. Ft-0652091

17. C72844

18. A808892

19. Aminoacetyl)-5-methoxy-2-phenoxyphenyl)methanesulfonamide Hydrochloride

20. N-(4-glycyl-5-methoxy-2-phenoxyphenyl)methanesulfonamide Hydrochloride

21. N-(4-(2-aminoacetyl)-5-methoxy-2-phenoxyphenyl)methanesulfonamidehydrochloride

22. N-(4-glycyl-5-methoxy-2-phenoxyphenyl)methanesulfonamide--hydrogen Chloride (1/1)

23. N-[4-(2-aminoacetyl)-5-methoxy-2-phenoxy-phenyl]methanesulfonamide Hydrochloride

2.3 Create Date

2009-09-01

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₁₉ClN₂O₅S
Molecular Weight	386.9 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	116
Heavy Atom Count	25
Formal Charge	0
Complexity	513
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	2