[4-(4-cyanophenyl)phenyl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [4-(4-cyanophenyl)phenyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [4-(4-cyanophenyl)phenyl] ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H20N2O4S/c1-27(24,25)22-12-10-18(11-13-22)20(23)26-19-8-6-17(7-9-19)16-4-2-15(14-21)3-5-16/h2-9,18H,10-13H2,1H3