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

Systemtic Name: 1-[3-methyl-4-[1-oxidanyl-1-oxidanylidene-4-(4-pyrrolidin-1-ylphenyl)butan-2-yl]phenyl]sulfonylindole-2-carboxylic acid Openeye Name: 1-[4-[1-carboxy-3-(4-pyrrolidin-1-ylphenyl)propyl]-3-methyl-phenyl]sulfonylindole-2-carboxylic acid CAS Name: 1-[4-[1-hydroxy-1-oxo-4-[4-(1-pyrrolidinyl)phenyl]butan-2-yl]-3-methylphenyl]sulfonyl-2-indolecarboxylic acid IUPAC Name: 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]sulfonylindole-2-carboxylic acid Formula: C30H30N2O6S MolecularWeight: 546.634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2C3=CC=CC=C3C=C2C(=O)O)C(CCC4=CC=C(C=C4)N5CCCC5)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2C3=CC=CC=C3C=C2C(=O)O)C(CCC4=CC=C(C=C4)N5CCCC5)C(=O)O

InChI

InChI=1S/C30H30N2O6S/c1-20-18-24(39(37,38)32-27-7-3-2-6-22(27)19-28(32)30(35)36)13-15-25(20)26(29(33)34)14-10-21-8-11-23(12-9-21)31-16-4-5-17-31/h2-3,6-9,11-13,15,18-19,26H,4-5,10,14,16-17H2,1H3,(H,33,34)(H,35,36)