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  • N-[2-(p-Bromocinnamylamino)ethyl]-5-Isoquinoline Sulfonamide, 98%

  • N-[2-(p-Bromocinnamylamino)ethyl]-5-Isoquinoline Sulfonamide, 98%

    Catalog Number
    ACM127243850
    Product Name
    N-[2-(p-Bromocinnamylamino)ethyl]-5-Isoquinoline Sulfonamide, 98%
    Structure
    CAS
    127243-85-0
    Category
    Other Glass and Ceramic Materials
    IUPAC Name
    N-[2-[[(E)-3-(4-bromophenyl)prop-2-enyl]amino]ethyl]isoquinoline-5-sulfonamide
    Molecular Weight
    446.4g/mol
    Molecular Formula
    C20H20BrN3O2S
    Canonical SMILES
    C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCCNCC=CC3=CC=C(C=C3)Br
    InChI
    InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+
    InChI Key
    ZKZXNDJNWUTGDK-NSCUHMNNSA-N
    Complexity
    570
    Covalently-Bonded Unit Count
    1
    Exact Mass
    445.04596g/mol
    Formal Charge
    0
    Heavy Atom Count
    27
    MeSH Entry Terms
    H 87;H 89;H-87;H-89;h89;N-(2-(4-bromocinnamylamino)ethyl)-5-isoquinolinesulfonamide
    Monoisotopic Mass
    445.04596g/mol
    Rotatable Bond Count
    8
    UNII
    M876330O56
    XLogP3
    3.5
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