1-[2-(4-methoxyphenyl)ethyl]-4-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxylic acid

Systemtic Name: 1-[2-(4-methoxyphenyl)ethyl]-4-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxylic acid Openeye Name: 1-[2-(4-methoxyphenyl)ethyl]-4-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxylic acid CAS Name: 1-[2-(4-methoxyphenyl)ethyl]-4-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(4-methoxyphenyl)ethyl]-4-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-[2-(4-methoxyphenyl)ethyl]-4-(4-methoxyphenyl)sulfonyl-isonipecotic acid Formula: C22H27NO6S MolecularWeight: 433.51788

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCN2CCC(CC2)(C(=O)O)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

COC1=CC=C(C=C1)CCN2CCC(CC2)(C(=O)O)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H27NO6S/c1-28-18-5-3-17(4-6-18)11-14-23-15-12-22(13-16-23,21(24)25)30(26,27)20-9-7-19(29-2)8-10-20/h3-10H,11-16H2,1-2H3,(H,24,25)