4-(4-methoxyphenyl)sulfonyl-1-[phenyl(thiophen-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 4-(4-methoxyphenyl)sulfonyl-1-[phenyl(thiophen-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 4-(4-methoxyphenyl)sulfonyl-1-[phenyl(2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 4-(4-methoxyphenyl)sulfonyl-1-[phenyl(thiophen-2-yl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 4-(4-methoxyphenyl)sulfonyl-1-[phenyl(thiophen-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 4-(4-methoxyphenyl)sulfonyl-1-[phenyl(2-thienyl)methyl]isonipecotic acid Formula: C24H25NO5S2 MolecularWeight: 471.589

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)C(C3=CC=CC=C3)C4=CC=CS4)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)C(C3=CC=CC=C3)C4=CC=CS4)C(=O)O

InChI

InChI=1S/C24H25NO5S2/c1-30-19-9-11-20(12-10-19)32(28,29)24(23(26)27)13-15-25(16-14-24)22(21-8-5-17-31-21)18-6-3-2-4-7-18/h2-12,17,22H,13-16H2,1H3,(H,26,27)