(4-cyanophenyl)methyl 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C22H24N2O4S/c1-16-3-8-21(13-17(16)2)29(26,27)24-11-9-20(10-12-24)22(25)28-15-19-6-4-18(14-23)5-7-19/h3-8,13,20H,9-12,15H2,1-2H3