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    TTYKUKSFWHEBLI-DLBZAZTESA-N

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    2D Structure
    Also known as: Pesampator, Pf-04958242, 1258963-59-5, Pesampator [usan], Pf-4958242, 9g1a824cc2
    Molecular Formula
    C18H20N2O4S2
    Molecular Weight
    392.5  g/mol
    InChI Key
    TTYKUKSFWHEBLI-DLBZAZTESA-N
    FDA UNII
    9G1A824CC2
    PF-04958242 has been used in trials studying the basic science and treatment of Schizophrenia and Hearing Loss, Sensorineural.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[(3S,4S)-4-[4-(5-cyanothiophen-2-yl)phenoxy]oxolan-3-yl]propane-2-sulfonamide
    2.1.2 InChI
    InChI=1S/C18H20N2O4S2/c1-12(2)26(21,22)20-16-10-23-11-17(16)24-14-5-3-13(4-6-14)18-8-7-15(9-19)25-18/h3-8,12,16-17,20H,10-11H2,1-2H3/t16-,17+/m0/s1
    2.1.3 InChI Key
    TTYKUKSFWHEBLI-DLBZAZTESA-N
    2.1.4 Canonical SMILES
    CC(C)S(=O)(=O)NC1COCC1OC2=CC=C(C=C2)C3=CC=C(S3)C#N
    2.1.5 Isomeric SMILES
    CC(C)S(=O)(=O)N[C@H]1COC[C@H]1OC2=CC=C(C=C2)C3=CC=C(S3)C#N
    2.2 Other Identifiers
    2.2.1 UNII
    9G1A824CC2
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. N-(4-(4-(5-cyano-2-thienyl)phenoxy)tetrahydrofuran-3-yl)propane-2-sulfonamide

    2. Pf-04958242

    2.3.2 Depositor-Supplied Synonyms

    1. Pesampator

    2. Pf-04958242

    3. 1258963-59-5

    4. Pesampator [usan]

    5. Pf-4958242

    6. 9g1a824cc2

    7. 2-propanesulfonamide, N-[(3s,4s)-4-[4-(5-cyano-2-thienyl)phenoxy]tetrahydro-3-furanyl]-

    8. N-{(3s,4s)-4-[4-(5-cyanothiophen-2-yl)phenoxy]tetrahydrofuran-3-yl}propane-2-sulfonamide

    9. Unii-9g1a824cc2

    10. N-((3s,4s)-4-(4-(5-cyanothiophen-2-yl)phenoxy)tetrahydrofuran-3-yl)propane-2-sulfonamide

    11. Pesampator [inn]

    12. Pf 04958242

    13. Biib104

    14. Biib-104

    15. Schembl1869187

    16. Dtxsid001337272

    17. Who 11917

    18. Zinc72316201

    19. Db11843

    20. Hy-112781

    21. Cs-0064139

    22. J3.560.860e

    23. Q27272515

    24. N-[(3s,4s)-4-[4-(5-cyanothiophen-2-yl)phenoxy]oxolan-3-yl]propane-2-sulfonamide

    25. Xpf

    2.4 Create Date
    2011-02-14
    3 Chemical and Physical Properties
    Molecular Weight 392.5 g/mol
    Molecular Formula C18H20N2O4S2
    XLogP32.9
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count6
    Exact Mass392.08644947 g/mol
    Monoisotopic Mass392.08644947 g/mol
    Topological Polar Surface Area125 Ų
    Heavy Atom Count26
    Formal Charge0
    Complexity617
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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