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

Systemtic Name: 6-bromanyl-2-[[4-[(4-carboxyphenyl)sulfonylamino]phenyl]methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-[[4-[(4-carboxyphenyl)sulfonylamino]phenyl]methyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-[[4-[(4-carboxyphenyl)sulfonylamino]phenyl]methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-[[4-[(4-carboxyphenyl)sulfonylamino]phenyl]methyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-2-[4-[(4-carboxyphenyl)sulfonylamino]benzyl]-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C30H21BrN2O7S MolecularWeight: 633.46594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)Br)CC4=CC=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)Br)CC4=CC=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)C(=O)O)C(=O)O

InChI

InChI=1S/C30H21BrN2O7S/c31-21-10-15-24-25(16-21)26(19-4-2-1-3-5-19)27(30(37)38)33(28(24)34)17-18-6-11-22(12-7-18)32-41(39,40)23-13-8-20(9-14-23)29(35)36/h1-16,32H,17H2,(H,35,36)(H,37,38)