1-[1-methyl-2-oxidanylidene-4-(trifluoromethyl)quinolin-6-yl]sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[1-methyl-2-oxidanylidene-4-(trifluoromethyl)quinolin-6-yl]sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-[[1-methyl-2-oxo-4-(trifluoromethyl)-6-quinolyl]sulfonyl]piperidine-4-carboxylic acid CAS Name: 1-[[1-methyl-2-oxo-4-(trifluoromethyl)-6-quinolinyl]sulfonyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-methyl-2-oxo-4-(trifluoromethyl)quinolin-6-yl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-[[2-keto-1-methyl-4-(trifluoromethyl)-6-quinolyl]sulfonyl]isonipecotic acid Formula: C17H17F3N2O5S MolecularWeight: 418.38749

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)O)C(=CC1=O)C(F)(F)F

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)O)C(=CC1=O)C(F)(F)F

InChI

InChI=1S/C17H17F3N2O5S/c1-21-14-3-2-11(8-12(14)13(9-15(21)23)17(18,19)20)28(26,27)22-6-4-10(5-7-22)16(24)25/h2-3,8-10H,4-7H2,1H3,(H,24,25)