1-[(3-methoxyphenyl)methyl]-4-(2-methoxyphenyl)sulfonyl-piperidine-4-carboxylic acid

Systemtic Name: 1-[(3-methoxyphenyl)methyl]-4-(2-methoxyphenyl)sulfonyl-piperidine-4-carboxylic acid Openeye Name: 1-[(3-methoxyphenyl)methyl]-4-(2-methoxyphenyl)sulfonyl-piperidine-4-carboxylic acid CAS Name: 1-[(3-methoxyphenyl)methyl]-4-(2-methoxyphenyl)sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-methoxyphenyl)methyl]-4-(2-methoxyphenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-m-anisyl-4-(2-methoxyphenyl)sulfonyl-isonipecotic acid Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CCC(CC2)(C(=O)O)S(=O)(=O)C3=CC=CC=C3OC

Isomeric SMILES

COC1=CC=CC(=C1)CN2CCC(CC2)(C(=O)O)S(=O)(=O)C3=CC=CC=C3OC

InChI

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