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

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: (2-amino-2-oxo-ethyl) 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[3-(trifluoromethyl)phenyl]sulfonylisonipecotic acid (2-amino-2-keto-ethyl) ester Formula: C15H17F3N2O5S MolecularWeight: 394.36609

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17F3N2O5S/c16-15(17,18)11-2-1-3-12(8-11)26(23,24)20-6-4-10(5-7-20)14(22)25-9-13(19)21/h1-3,8,10H,4-7,9H2,(H2,19,21)