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

Systemtic Name: [4-(2-cyanophenyl)phenyl]methyl 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: [4-(2-cyanophenyl)phenyl]methyl 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid [4-(2-cyanophenyl)phenyl]methyl ester IUPAC Name: [4-(2-cyanophenyl)phenyl]methyl 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid [4-(2-cyanophenyl)benzyl] ester Formula: C26H24N2O4S MolecularWeight: 460.54476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CC=C(C=C2)C3=CC=CC=C3C#N)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CC=C(C=C2)C3=CC=CC=C3C#N)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H24N2O4S/c27-18-23-6-4-5-9-25(23)21-12-10-20(11-13-21)19-32-26(29)22-14-16-28(17-15-22)33(30,31)24-7-2-1-3-8-24/h1-13,22H,14-17,19H2