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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C(CCC3=CC=C(C=C3)N4CCCC4)C(=O)O

Isomeric SMILES

C1CCN(C(C1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C(CCC3=CC=C(C=C3)N4CCCC4)C(=O)O

InChI

InChI=1S/C26H32N2O6S/c29-25(30)23(15-8-19-6-11-21(12-7-19)27-16-3-4-17-27)20-9-13-22(14-10-20)35(33,34)28-18-2-1-5-24(28)26(31)32/h6-7,9-14,23-24H,1-5,8,15-18H2,(H,29,30)(H,31,32)