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

Systemtic Name: 6-bromanyl-2-[[4-[(4-ethanoylphenyl)sulfonylamino]phenyl]methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 2-[[4-[(4-acetylphenyl)sulfonylamino]phenyl]methyl]-6-bromo-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 2-[[4-[(4-acetylphenyl)sulfonylamino]phenyl]methyl]-6-bromo-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 2-[[4-[(4-acetylphenyl)sulfonylamino]phenyl]methyl]-6-bromo-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 2-[4-[(4-acetylphenyl)sulfonylamino]benzyl]-6-bromo-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C31H23BrN2O6S MolecularWeight: 631.49312

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=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)C1=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/C31H23BrN2O6S/c1-19(35)21-9-14-25(15-10-21)41(39,40)33-24-12-7-20(8-13-24)18-34-29(31(37)38)28(22-5-3-2-4-6-22)27-17-23(32)11-16-26(27)30(34)36/h2-17,33H,18H2,1H3,(H,37,38)