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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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