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    Technical details about CAS 33456-68-7, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 33456-68-7

    Manufacturers/Suppliers

    PharmaCompass

    Farmhispania Group, a leading European CDMO in HPAPI Technologies & High Potency Fermentation.

    One Pharma aims to be one of the leading generic companies in Europe.

    2D Structure
    1. 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

    2D Structure

    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 Weight 402.5 g/mol
    Molecular Formula C20H22N2O5S
    XLogP32.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count5
    Exact Mass402.12494298 g/mol
    Monoisotopic Mass402.12494298 g/mol
    Topological Polar Surface Area115 Ų
    Heavy Atom Count28
    Formal Charge0
    Complexity707
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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