[2-oxidanylidene-1-phenyl-2-[[3-(trifluoromethyl)phenyl]amino]ethyl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-oxidanylidene-1-phenyl-2-[[3-(trifluoromethyl)phenyl]amino]ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-keto-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] ester Formula: C22H23F3N2O5S MolecularWeight: 484.48863

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C22H23F3N2O5S/c1-33(30,31)27-12-10-16(11-13-27)21(29)32-19(15-6-3-2-4-7-15)20(28)26-18-9-5-8-17(14-18)22(23,24)25/h2-9,14,16,19H,10-13H2,1H3,(H,26,28)