5,6-dimethoxy-1-[3-methyl-4-[1-oxidanyl-1-oxidanylidene-4-(2-pyrrolidin-1-ylphenyl)butan-2-yl]phenyl]sulfonyl-indole-2-carboxylic acid

Systemtic Name: 5,6-dimethoxy-1-[3-methyl-4-[1-oxidanyl-1-oxidanylidene-4-(2-pyrrolidin-1-ylphenyl)butan-2-yl]phenyl]sulfonyl-indole-2-carboxylic acid Openeye Name: 1-[4-[1-carboxy-3-(2-pyrrolidin-1-ylphenyl)propyl]-3-methyl-phenyl]sulfonyl-5,6-dimethoxy-indole-2-carboxylic acid CAS Name: 1-[4-[1-hydroxy-1-oxo-4-[2-(1-pyrrolidinyl)phenyl]butan-2-yl]-3-methylphenyl]sulfonyl-5,6-dimethoxy-2-indolecarboxylic acid IUPAC Name: 1-[4-[1-hydroxy-1-oxo-4-(2-pyrrolidin-1-ylphenyl)butan-2-yl]-3-methylphenyl]sulfonyl-5,6-dimethoxyindole-2-carboxylic acid Traditional Name: 1-[4-[1-carboxy-3-(2-pyrrolidinophenyl)propyl]-3-methyl-phenyl]sulfonyl-5,6-dimethoxy-indole-2-carboxylic acid Formula: C32H34N2O8S MolecularWeight: 606.68596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2C3=CC(=C(C=C3C=C2C(=O)O)OC)OC)C(CCC4=CC=CC=C4N5CCCC5)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2C3=CC(=C(C=C3C=C2C(=O)O)OC)OC)C(CCC4=CC=CC=C4N5CCCC5)C(=O)O

InChI

InChI=1S/C32H34N2O8S/c1-20-16-23(43(39,40)34-27-19-30(42-3)29(41-2)18-22(27)17-28(34)32(37)38)11-13-24(20)25(31(35)36)12-10-21-8-4-5-9-26(21)33-14-6-7-15-33/h4-5,8-9,11,13,16-19,25H,6-7,10,12,14-15H2,1-3H3,(H,35,36)(H,37,38)