[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-1-phenyl-ethyl] 3-indolin-1-ylsulfonylbenzoate CAS Name: 3-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid [2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate Traditional Name: 3-indolin-1-ylsulfonylbenzoic acid [2-(2-bromo-4-nitro-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C29H22BrN3O7S MolecularWeight: 636.46988

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)OC(C4=CC=CC=C4)C(=O)NC5=C(C=C(C=C5)[N+](=O)[O-])Br

Isomeric SMILES

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)OC(C4=CC=CC=C4)C(=O)NC5=C(C=C(C=C5)[N+](=O)[O-])Br

InChI

InChI=1S/C29H22BrN3O7S/c30-24-18-22(33(36)37)13-14-25(24)31-28(34)27(20-8-2-1-3-9-20)40-29(35)21-10-6-11-23(17-21)41(38,39)32-16-15-19-7-4-5-12-26(19)32/h1-14,17-18,27H,15-16H2,(H,31,34)