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    Technical details about Usnoflast, learn more about the structure, uses, toxicity, action, side effects and more

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    Usnoflast

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    2D Structure
    Also known as: Zyil1, Zyil-1, Schembl22230951, (1e)-2-[(2r)-1,2-dimethyl-2-pyrrolidinyl]-n-[[(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)amino]carbonyl]ethenesulfonamide, 2455519-86-3, Ethenesulfonamide, 2-[(2r)-1,2-dimethyl-2-pyrrolidinyl]-n-[[(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)amino]carbonyl]-, (1e)-
    Molecular Formula
    C21H29N3O3S
    Molecular Weight
    403.5  g/mol
    InChI Key
    HAMGPBKPACGWND-ZOXUKVPXSA-N
    FDA UNII
    P9ZQS28F8C
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-[(E)-2-[(2R)-1,2-dimethylpyrrolidin-2-yl]ethenyl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
    2.1.2 InChI
    InChI=1S/C21H29N3O3S/c1-21(10-5-12-24(21)2)11-13-28(26,27)23-20(25)22-19-17-8-3-6-15(17)14-16-7-4-9-18(16)19/h11,13-14H,3-10,12H2,1-2H3,(H2,22,23,25)/b13-11+/t21-/m1/s1
    2.1.3 InChI Key
    HAMGPBKPACGWND-ZOXUKVPXSA-N
    2.1.4 Canonical SMILES
    CC1(CCCN1C)C=CS(=O)(=O)NC(=O)NC2=C3CCCC3=CC4=C2CCC4
    2.1.5 Isomeric SMILES
    C[C@@]1(CCCN1C)/C=C/S(=O)(=O)NC(=O)NC2=C3CCCC3=CC4=C2CCC4
    2.2 Other Identifiers
    2.2.1 UNII
    P9ZQS28F8C
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Zyil-1

    2. Zyil1

    2.3.2 Depositor-Supplied Synonyms

    1. Zyil1

    2. Zyil-1

    3. Schembl22230951

    4. (1e)-2-[(2r)-1,2-dimethyl-2-pyrrolidinyl]-n-[[(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)amino]carbonyl]ethenesulfonamide

    5. 2455519-86-3

    6. Ethenesulfonamide, 2-[(2r)-1,2-dimethyl-2-pyrrolidinyl]-n-[[(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)amino]carbonyl]-, (1e)-

    2.4 Create Date
    2020-09-28
    3 Chemical and Physical Properties
    Molecular Weight 403.5 g/mol
    Molecular Formula C21H29N3O3S
    XLogP33.6
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count4
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area86.9
    Heavy Atom Count28
    Formal Charge0
    Complexity712
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1