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  • ALD-N000025,NSC159469, 4-(3-methylbutanoylamino)benzenesulfonyl chlori
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]
    ALD-N000025
    NSC159469

    [Structure]
    ALD-N000025,NSC159469, 4-(3-methylbutanoylamino)benzenesulfonyl chlori

    [ Properties Computed from Structure]
    Molecular Weight275.75176 [g/mol]
    Molecular FormulaC11H14ClNO3S
    XLogP2.1
    H-Bond Donor1
    H-Bond Acceptor3
    Rotatable Bond Count4
    Tautomer Count2
    Exact Mass275.038292
    MonoIsotopic Mass275.038292
    Topological Polar Surface Area63.2
    Heavy Atom Count17
    Formal Charge0
    Complexity353
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: 4-(3-methylbutanoylamino)benzenesulfonyl chloride
    Canonical SMILES: CC(C)CC(=O)NC1=CC=C(C=C1)S(=O)(=O)Cl
    InChI: InChI=1/C11H14ClNO3S/c1-8(2)7-11(14)13-9-3-5-10(6-4-9)17(12,15)16/h3-6,
    8H,7H2,1-2H3,(H,13,14)/f/h13H

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