(1-oxidanylidene-1-phenylazanyl-propan-2-yl) 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: (1-oxidanylidene-1-phenylazanyl-propan-2-yl) 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: (2-anilino-1-methyl-2-oxo-ethyl) 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid (1-anilino-1-oxopropan-2-yl) ester IUPAC Name: (1-anilino-1-oxopropan-2-yl) 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[2-(trifluoromethyl)phenyl]sulfonylisonipecotic acid (2-anilino-2-keto-1-methyl-ethyl) ester Formula: C22H23F3N2O5S MolecularWeight: 484.48863

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

InChI

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