1-[[2-oxidanylidene-4-(trifluoromethyl)-1H-quinolin-6-yl]sulfonyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[2-oxidanylidene-4-(trifluoromethyl)-1H-quinolin-6-yl]sulfonyl]piperidine-4-carboxylic acid Openeye Name: 1-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]sulfonyl]piperidine-4-carboxylic acid CAS Name: 1-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]sulfonyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]sulfonyl]piperidine-4-carboxylic acid Traditional Name: 1-[[2-keto-4-(trifluoromethyl)-1H-quinolin-6-yl]sulfonyl]isonipecotic acid Formula: C16H15F3N2O5S MolecularWeight: 404.36091

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C=C3C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)O)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C=C3C(F)(F)F

InChI

InChI=1S/C16H15F3N2O5S/c17-16(18,19)12-8-14(22)20-13-2-1-10(7-11(12)13)27(25,26)21-5-3-9(4-6-21)15(23)24/h1-2,7-9H,3-6H2,(H,20,22)(H,23,24)