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

Systemtic Name: 1-[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]phenyl]sulfonylindole-2-carboxylic acid CAS Name: 1-[4-[1-hydroxy-1-oxo-4-[4-(1-pyrrolidinyl)phenyl]butan-2-yl]phenyl]sulfonyl-2-indolecarboxylic acid IUPAC Name: 1-[4-[1-hydroxy-1-oxo-4-(4-pyrrolidin-1-ylphenyl)butan-2-yl]phenyl]sulfonylindole-2-carboxylic acid Traditional Name: 1-[4-[1-carboxy-3-(4-pyrrolidinophenyl)propyl]phenyl]sulfonylindole-2-carboxylic acid Formula: C29H28N2O6S MolecularWeight: 532.60742

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)CCC(C3=CC=C(C=C3)S(=O)(=O)N4C5=CC=CC=C5C=C4C(=O)O)C(=O)O

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)CCC(C3=CC=C(C=C3)S(=O)(=O)N4C5=CC=CC=C5C=C4C(=O)O)C(=O)O

InChI

InChI=1S/C29H28N2O6S/c32-28(33)25(16-9-20-7-12-23(13-8-20)30-17-3-4-18-30)21-10-14-24(15-11-21)38(36,37)31-26-6-2-1-5-22(26)19-27(31)29(34)35/h1-2,5-8,10-15,19,25H,3-4,9,16-18H2,(H,32,33)(H,34,35)