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

Systemtic Name: 6-bromanyl-2-[[4-[(4-methoxycarbonylphenyl)methylsulfonyl]phenyl]methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-[[4-[(4-methoxycarbonylphenyl)methylsulfonyl]phenyl]methyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-[[4-[(4-methoxycarbonylphenyl)methylsulfonyl]phenyl]methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-[[4-[(4-methoxycarbonylphenyl)methylsulfonyl]phenyl]methyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-2-[4-(4-carbomethoxybenzyl)sulfonylbenzyl]-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C32H24BrNO7S MolecularWeight: 646.50446

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CS(=O)(=O)C2=CC=C(C=C2)CN3C(=C(C4=C(C3=O)C=CC(=C4)Br)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CS(=O)(=O)C2=CC=C(C=C2)CN3C(=C(C4=C(C3=O)C=CC(=C4)Br)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C32H24BrNO7S/c1-41-32(38)23-11-7-21(8-12-23)19-42(39,40)25-14-9-20(10-15-25)18-34-29(31(36)37)28(22-5-3-2-4-6-22)27-17-24(33)13-16-26(27)30(34)35/h2-17H,18-19H2,1H3,(H,36,37)