4-[(4-methoxyphenyl)-(phenylsulfonyl)-thiophen-2-yl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 4-[(4-methoxyphenyl)-(phenylsulfonyl)-thiophen-2-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 4-[benzenesulfonyl-(4-methoxyphenyl)-(2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 4-[benzenesulfonyl-(4-methoxyphenyl)-thiophen-2-ylmethyl]-4-piperidinecarboxylic acid IUPAC Name: 4-[benzenesulfonyl-(4-methoxyphenyl)-thiophen-2-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 4-[besyl-(4-methoxyphenyl)-(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)C(C2=CC=CS2)(C3(CCNCC3)C(=O)O)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CS2)(C3(CCNCC3)C(=O)O)S(=O)(=O)C4=CC=CC=C4

InChI

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