(2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl) 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: (2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl) 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid (2-oxo-3,4-dihydro-1H-quinolin-6-yl) ester IUPAC Name: (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[2-(trifluoromethyl)phenyl]sulfonylisonipecotic acid (2-keto-3,4-dihydro-1H-quinolin-6-yl) ester Formula: C22H21F3N2O5S MolecularWeight: 482.47275

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OC2=CC3=C(C=C2)NC(=O)CC3)S(=O)(=O)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)OC2=CC3=C(C=C2)NC(=O)CC3)S(=O)(=O)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C22H21F3N2O5S/c23-22(24,25)17-3-1-2-4-19(17)33(30,31)27-11-9-14(10-12-27)21(29)32-16-6-7-18-15(13-16)5-8-20(28)26-18/h1-4,6-7,13-14H,5,8-12H2,(H,26,28)