[4-(2-cyanophenyl)phenyl]methyl 1-ethylsulfonylpiperidine-4-carboxylate

Systemtic Name: [4-(2-cyanophenyl)phenyl]methyl 1-ethylsulfonylpiperidine-4-carboxylate Openeye Name: [4-(2-cyanophenyl)phenyl]methyl 1-ethylsulfonylpiperidine-4-carboxylate CAS Name: 1-ethylsulfonyl-4-piperidinecarboxylic acid [4-(2-cyanophenyl)phenyl]methyl ester IUPAC Name: [4-(2-cyanophenyl)phenyl]methyl 1-ethylsulfonylpiperidine-4-carboxylate Traditional Name: 1-esylisonipecotic acid [4-(2-cyanophenyl)benzyl] ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)OCC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)OCC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

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