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

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 1-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: (2-amino-2-oxo-ethyl) 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylisonipecotic acid (2-amino-2-keto-ethyl) ester Formula: C15H16ClF3N2O5S MolecularWeight: 428.81115

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16ClF3N2O5S/c16-12-2-1-10(7-11(12)15(17,18)19)27(24,25)21-5-3-9(4-6-21)14(23)26-8-13(20)22/h1-2,7,9H,3-6,8H2,(H2,20,22)