N-butyl-4-[[2-oxidanylidene-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide

Systemtic Name: N-butyl-4-[[2-oxidanylidene-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide Openeye Name: N-butyl-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide CAS Name: N-butyl-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide IUPAC Name: N-butyl-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide Traditional Name: N-butyl-4-[[2-keto-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide Formula: C21H21F3N2O3S MolecularWeight: 438.46325

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNS(=O)(=O)C1=CC=C(C=C1)CC2=CC3=C(C=C2)NC(=O)C=C3C(F)(F)F

Isomeric SMILES

CCCCNS(=O)(=O)C1=CC=C(C=C1)CC2=CC3=C(C=C2)NC(=O)C=C3C(F)(F)F

InChI

InChI=1S/C21H21F3N2O3S/c1-2-3-10-25-30(28,29)16-7-4-14(5-8-16)11-15-6-9-19-17(12-15)18(21(22,23)24)13-20(27)26-19/h4-9,12-13,25H,2-3,10-11H2,1H3,(H,26,27)