(2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[3-(trifluoromethyl)phenyl]sulfonylisonipecotic acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C21H21F3N2O5S MolecularWeight: 470.46205

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OC(C2=CC=CC=C2)C(=O)N)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)OC(C2=CC=CC=C2)C(=O)N)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H21F3N2O5S/c22-21(23,24)16-7-4-8-17(13-16)32(29,30)26-11-9-15(10-12-26)20(28)31-18(19(25)27)14-5-2-1-3-6-14/h1-8,13,15,18H,9-12H2,(H2,25,27)