4-(4-methoxyphenyl)sulfonyl-1-[(4-pyridin-2-ylphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 4-(4-methoxyphenyl)sulfonyl-1-[(4-pyridin-2-ylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 4-(4-methoxyphenyl)sulfonyl-1-[[4-(2-pyridyl)phenyl]methyl]piperidine-4-carboxylic acid CAS Name: 4-(4-methoxyphenyl)sulfonyl-1-[[4-(2-pyridinyl)phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 4-(4-methoxyphenyl)sulfonyl-1-[(4-pyridin-2-ylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 4-(4-methoxyphenyl)sulfonyl-1-[4-(2-pyridyl)benzyl]isonipecotic acid Formula: C25H26N2O5S MolecularWeight: 466.54934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)CC3=CC=C(C=C3)C4=CC=CC=N4)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)CC3=CC=C(C=C3)C4=CC=CC=N4)C(=O)O

InChI

InChI=1S/C25H26N2O5S/c1-32-21-9-11-22(12-10-21)33(30,31)25(24(28)29)13-16-27(17-14-25)18-19-5-7-20(8-6-19)23-4-2-3-15-26-23/h2-12,15H,13-14,16-18H2,1H3,(H,28,29)