2-[[4-[(4-acetamidophenyl)sulfonylamino]phenyl]methyl]-6-bromanyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[[4-[(4-acetamidophenyl)sulfonylamino]phenyl]methyl]-6-bromanyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 2-[[4-[(4-acetamidophenyl)sulfonylamino]phenyl]methyl]-6-bromo-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 2-[[4-[(4-acetamidophenyl)sulfonylamino]phenyl]methyl]-6-bromo-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 2-[[4-[(4-acetamidophenyl)sulfonylamino]phenyl]methyl]-6-bromo-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 2-[4-[(4-acetamidophenyl)sulfonylamino]benzyl]-6-bromo-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C31H24BrN3O6S MolecularWeight: 646.50776

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)CN3C(=C(C4=C(C3=O)C=CC(=C4)Br)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)CN3C(=C(C4=C(C3=O)C=CC(=C4)Br)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C31H24BrN3O6S/c1-19(36)33-23-12-14-25(15-13-23)42(40,41)34-24-10-7-20(8-11-24)18-35-29(31(38)39)28(21-5-3-2-4-6-21)27-17-22(32)9-16-26(27)30(35)37/h2-17,34H,18H2,1H3,(H,33,36)(H,38,39)