(4-methylphenyl) 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (4-methylphenyl) 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: p-tolyl 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2-methoxycarbonylphenyl)sulfonyl-4-piperidinecarboxylic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-carbomethoxyphenyl)sulfonylisonipecotic acid p-tolyl ester Formula: C21H23NO6S MolecularWeight: 417.47542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C21H23NO6S/c1-15-7-9-17(10-8-15)28-20(23)16-11-13-22(14-12-16)29(25,26)19-6-4-3-5-18(19)21(24)27-2/h3-10,16H,11-14H2,1-2H3