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

Systemtic Name: 3,3-dimethyl-1-[4-[1-oxidanyl-1-oxidanylidene-4-(4-pyrrolidin-1-ylphenyl)butan-2-yl]phenyl]sulfonyl-2H-indole-2-carboxylic acid Openeye Name: 1-[4-[1-carboxy-3-(4-pyrrolidin-1-ylphenyl)propyl]phenyl]sulfonyl-3,3-dimethyl-indoline-2-carboxylic acid CAS Name: 1-[4-[1-hydroxy-1-oxo-4-[4-(1-pyrrolidinyl)phenyl]butan-2-yl]phenyl]sulfonyl-3,3-dimethyl-2H-indole-2-carboxylic acid IUPAC Name: 1-[4-[1-hydroxy-1-oxo-4-(4-pyrrolidin-1-ylphenyl)butan-2-yl]phenyl]sulfonyl-3,3-dimethyl-2H-indole-2-carboxylic acid Traditional Name: 1-[4-[1-carboxy-3-(4-pyrrolidinophenyl)propyl]phenyl]sulfonyl-3,3-dimethyl-indoline-2-carboxylic acid Formula: C31H34N2O6S MolecularWeight: 562.67646

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(CCC4=CC=C(C=C4)N5CCCC5)C(=O)O)C(=O)O)C

Isomeric SMILES

CC1(C(N(C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(CCC4=CC=C(C=C4)N5CCCC5)C(=O)O)C(=O)O)C

InChI

InChI=1S/C31H34N2O6S/c1-31(2)26-7-3-4-8-27(26)33(28(31)30(36)37)40(38,39)24-16-12-22(13-17-24)25(29(34)35)18-11-21-9-14-23(15-10-21)32-19-5-6-20-32/h3-4,7-10,12-17,25,28H,5-6,11,18-20H2,1-2H3,(H,34,35)(H,36,37)