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

Systemtic Name: 1-[4-[1-oxidanyl-1-oxidanylidene-4-(4-pyrrolidin-1-ylphenyl)butan-2-yl]phenyl]sulfonylpiperidine-3-carboxylic acid Openeye Name: 1-[4-[1-carboxy-3-(4-pyrrolidin-1-ylphenyl)propyl]phenyl]sulfonylpiperidine-3-carboxylic acid CAS Name: 1-[4-[1-hydroxy-1-oxo-4-[4-(1-pyrrolidinyl)phenyl]butan-2-yl]phenyl]sulfonyl-3-piperidinecarboxylic acid IUPAC Name: 1-[4-[1-hydroxy-1-oxo-4-(4-pyrrolidin-1-ylphenyl)butan-2-yl]phenyl]sulfonylpiperidine-3-carboxylic acid Traditional Name: 1-[4-[1-carboxy-3-(4-pyrrolidinophenyl)propyl]phenyl]sulfonylnipecotic 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)N4CCCC(C4)C(=O)O)C(=O)O

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)CCC(C3=CC=C(C=C3)S(=O)(=O)N4CCCC(C4)C(=O)O)C(=O)O

InChI

InChI=1S/C26H32N2O6S/c29-25(30)21-4-3-17-28(18-21)35(33,34)23-12-8-20(9-13-23)24(26(31)32)14-7-19-5-10-22(11-6-19)27-15-1-2-16-27/h5-6,8-13,21,24H,1-4,7,14-18H2,(H,29,30)(H,31,32)