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

Systemtic Name: 4-(4-methoxyphenyl)sulfonyl-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 4-(4-methoxyphenyl)sulfonyl-1-[[4-(2-thienyl)phenyl]methyl]piperidine-4-carboxylic acid CAS Name: 4-(4-methoxyphenyl)sulfonyl-1-[(4-thiophen-2-ylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 4-(4-methoxyphenyl)sulfonyl-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 4-(4-methoxyphenyl)sulfonyl-1-[4-(2-thienyl)benzyl]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)CC3=CC=C(C=C3)C4=CC=CS4)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)CC3=CC=C(C=C3)C4=CC=CS4)C(=O)O

InChI

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