2-[5-(4-indol-1-ylphenyl)-1-(4-methyl-3-nitro-phenyl)sulfonyl-indol-3-yl]ethanoic acid

Systemtic Name: 2-[5-(4-indol-1-ylphenyl)-1-(4-methyl-3-nitro-phenyl)sulfonyl-indol-3-yl]ethanoic acid Openeye Name: 2-[5-(4-indol-1-ylphenyl)-1-(4-methyl-3-nitro-phenyl)sulfonyl-indol-3-yl]acetic acid CAS Name: 2-[5-[4-(1-indolyl)phenyl]-1-(4-methyl-3-nitrophenyl)sulfonyl-3-indolyl]acetic acid IUPAC Name: 2-[5-(4-indol-1-ylphenyl)-1-(4-methyl-3-nitrophenyl)sulfonylindol-3-yl]acetic acid Traditional Name: 2-[5-(4-indol-1-ylphenyl)-1-(4-methyl-3-nitro-phenyl)sulfonyl-indol-3-yl]acetic acid Formula: C31H23N3O6S MolecularWeight: 565.59582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)C4=CC=C(C=C4)N5C=CC6=CC=CC=C65)CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)C4=CC=C(C=C4)N5C=CC6=CC=CC=C65)CC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C31H23N3O6S/c1-20-6-12-26(18-30(20)34(37)38)41(39,40)33-19-24(17-31(35)36)27-16-23(9-13-29(27)33)21-7-10-25(11-8-21)32-15-14-22-4-2-3-5-28(22)32/h2-16,18-19H,17H2,1H3,(H,35,36)