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

Systemtic Name: 1-[4-[1-oxidanyl-1-oxidanylidene-4-(4-pyrrolidin-1-ylphenyl)butan-2-yl]phenyl]sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-[4-[1-carboxy-3-(4-pyrrolidin-1-ylphenyl)propyl]phenyl]sulfonylpiperidine-4-carboxylic acid CAS Name: 1-[4-[1-hydroxy-1-oxo-4-[4-(1-pyrrolidinyl)phenyl]butan-2-yl]phenyl]sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-[4-[1-hydroxy-1-oxo-4-(4-pyrrolidin-1-ylphenyl)butan-2-yl]phenyl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-[4-[1-carboxy-3-(4-pyrrolidinophenyl)propyl]phenyl]sulfonylisonipecotic acid Formula: C26H32N2O6S MolecularWeight: 500.60708

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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)N4CCC(CC4)C(=O)O)C(=O)O

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)CCC(C3=CC=C(C=C3)S(=O)(=O)N4CCC(CC4)C(=O)O)C(=O)O

InChI

InChI=1S/C26H32N2O6S/c29-25(30)21-13-17-28(18-14-21)35(33,34)23-10-6-20(7-11-23)24(26(31)32)12-5-19-3-8-22(9-4-19)27-15-1-2-16-27/h3-4,6-11,21,24H,1-2,5,12-18H2,(H,29,30)(H,31,32)