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

Systemtic Name: 1-[3-methyl-4-[1-oxidanyl-1-oxidanylidene-4-(4-pyrrolidin-1-ylphenyl)butan-2-yl]phenyl]sulfonyl-5-oxidanyl-indole-2-carboxylic acid Openeye Name: 1-[4-[1-carboxy-3-(4-pyrrolidin-1-ylphenyl)propyl]-3-methyl-phenyl]sulfonyl-5-hydroxy-indole-2-carboxylic acid CAS Name: 5-hydroxy-1-[4-[1-hydroxy-1-oxo-4-[4-(1-pyrrolidinyl)phenyl]butan-2-yl]-3-methylphenyl]sulfonyl-2-indolecarboxylic acid IUPAC Name: 5-hydroxy-1-[4-[1-hydroxy-1-oxo-4-(4-pyrrolidin-1-ylphenyl)butan-2-yl]-3-methylphenyl]sulfonylindole-2-carboxylic acid Traditional Name: 1-[4-[1-carboxy-3-(4-pyrrolidinophenyl)propyl]-3-methyl-phenyl]sulfonyl-5-hydroxy-indole-2-carboxylic acid Formula: C30H30N2O7S MolecularWeight: 562.6334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2C3=C(C=C(C=C3)O)C=C2C(=O)O)C(CCC4=CC=C(C=C4)N5CCCC5)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2C3=C(C=C(C=C3)O)C=C2C(=O)O)C(CCC4=CC=C(C=C4)N5CCCC5)C(=O)O

InChI

InChI=1S/C30H30N2O7S/c1-19-16-24(40(38,39)32-27-13-9-23(33)17-21(27)18-28(32)30(36)37)10-12-25(19)26(29(34)35)11-6-20-4-7-22(8-5-20)31-14-2-3-15-31/h4-5,7-10,12-13,16-18,26,33H,2-3,6,11,14-15H2,1H3,(H,34,35)(H,36,37)