(2,3,6-trimethylphenyl) 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (2,3,6-trimethylphenyl) 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (2,3,6-trimethylphenyl) 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-cyanophenyl)sulfonyl-4-piperidinecarboxylic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-cyanophenyl)sulfonylisonipecotic acid (2,3,6-trimethylphenyl) ester Formula: C22H24N2O4S MolecularWeight: 412.50196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4S/c1-15-4-5-16(2)21(17(15)3)28-22(25)19-10-12-24(13-11-19)29(26,27)20-8-6-18(14-23)7-9-20/h4-9,19H,10-13H2,1-3H3