1-(4-methylphenyl)sulfonyl-4-(phenylmethyl)piperidine-4-carboxylic acid

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-(phenylmethyl)piperidine-4-carboxylic acid Openeye Name: 4-benzyl-1-(p-tolylsulfonyl)piperidine-4-carboxylic acid CAS Name: 1-(4-methylphenyl)sulfonyl-4-(phenylmethyl)-4-piperidinecarboxylic acid IUPAC Name: 4-benzyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 4-benzyl-1-tosyl-isonipecotic acid Formula: C20H23NO4S MolecularWeight: 373.46592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H23NO4S/c1-16-7-9-18(10-8-16)26(24,25)21-13-11-20(12-14-21,19(22)23)15-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3,(H,22,23)