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

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxylic acid Openeye Name: 1-[(4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxylic acid CAS Name: 1-[(4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 4-(4-methoxyphenyl)sulfonyl-1-p-anisyl-isonipecotic acid Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCC(CC2)(C(=O)O)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCC(CC2)(C(=O)O)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H25NO6S/c1-27-17-5-3-16(4-6-17)15-22-13-11-21(12-14-22,20(23)24)29(25,26)19-9-7-18(28-2)8-10-19/h3-10H,11-15H2,1-2H3,(H,23,24)