4-methoxy-1-[(4-methylphenyl)methyl]-2-(phenylsulfonyl)piperidine-4-carboxylic acid

Systemtic Name: 4-methoxy-1-[(4-methylphenyl)methyl]-2-(phenylsulfonyl)piperidine-4-carboxylic acid Openeye Name: 2-(benzenesulfonyl)-4-methoxy-1-(p-tolylmethyl)piperidine-4-carboxylic acid CAS Name: 2-(benzenesulfonyl)-4-methoxy-1-[(4-methylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 2-(benzenesulfonyl)-4-methoxy-1-[(4-methylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 2-besyl-4-methoxy-1-(4-methylbenzyl)isonipecotic acid Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCC(CC2S(=O)(=O)C3=CC=CC=C3)(C(=O)O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCC(CC2S(=O)(=O)C3=CC=CC=C3)(C(=O)O)OC

InChI

InChI=1S/C21H25NO5S/c1-16-8-10-17(11-9-16)15-22-13-12-21(27-2,20(23)24)14-19(22)28(25,26)18-6-4-3-5-7-18/h3-11,19H,12-15H2,1-2H3,(H,23,24)