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

Systemtic Name: 6-bromanyl-2-[[4-[(4-methylsulfonylphenyl)sulfonylamino]phenyl]methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-[[4-[(4-methylsulfonylphenyl)sulfonylamino]phenyl]methyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-[[4-[(4-methylsulfonylphenyl)sulfonylamino]phenyl]methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-[[4-[(4-methylsulfonylphenyl)sulfonylamino]phenyl]methyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-1-keto-2-[4-[(4-mesylphenyl)sulfonylamino]benzyl]-4-phenyl-isoquinoline-3-carboxylic acid Formula: C30H23BrN2O7S2 MolecularWeight: 667.54682

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=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

CS(=O)(=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/C30H23BrN2O7S2/c1-41(37,38)23-12-14-24(15-13-23)42(39,40)32-22-10-7-19(8-11-22)18-33-28(30(35)36)27(20-5-3-2-4-6-20)26-17-21(31)9-16-25(26)29(33)34/h2-17,32H,18H2,1H3,(H,35,36)