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

Systemtic Name: [2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: [2-(2-furylmethylamino)-2-oxo-ethyl] 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylamino)-2-oxoethyl] 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[3-(trifluoromethyl)phenyl]sulfonylisonipecotic acid [2-(2-furfurylamino)-2-keto-ethyl] ester Formula: C20H21F3N2O6S MolecularWeight: 474.45075

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NCC2=CC=CO2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NCC2=CC=CO2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H21F3N2O6S/c21-20(22,23)15-3-1-5-17(11-15)32(28,29)25-8-6-14(7-9-25)19(27)31-13-18(26)24-12-16-4-2-10-30-16/h1-5,10-11,14H,6-9,12-13H2,(H,24,26)