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

Systemtic Name: [2-(aminocarbonylamino)-2-oxidanylidene-ethyl] 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: (2-oxo-2-ureido-ethyl) 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid [2-(carbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(carbamoylamino)-2-oxoethyl] 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[3-(trifluoromethyl)phenyl]sulfonylisonipecotic acid (2-keto-2-ureido-ethyl) ester Formula: C16H18F3N3O6S MolecularWeight: 437.39083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18F3N3O6S/c17-16(18,19)11-2-1-3-12(8-11)29(26,27)22-6-4-10(5-7-22)14(24)28-9-13(23)21-15(20)25/h1-3,8,10H,4-7,9H2,(H3,20,21,23,25)