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

Systemtic Name: N-(2-cyanoethyl)-N-methyl-4-[[2-oxidanylidene-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide Openeye Name: N-(2-cyanoethyl)-N-methyl-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide CAS Name: N-(2-cyanoethyl)-N-methyl-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide IUPAC Name: N-(2-cyanoethyl)-N-methyl-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide Traditional Name: N-(2-cyanoethyl)-4-[[2-keto-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]-N-methyl-benzenesulfonamide Formula: C21H18F3N3O3S MolecularWeight: 449.44613

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)S(=O)(=O)C1=CC=C(C=C1)CC2=CC3=C(C=C2)NC(=O)C=C3C(F)(F)F

Isomeric SMILES

CN(CCC#N)S(=O)(=O)C1=CC=C(C=C1)CC2=CC3=C(C=C2)NC(=O)C=C3C(F)(F)F

InChI

InChI=1S/C21H18F3N3O3S/c1-27(10-2-9-25)31(29,30)16-6-3-14(4-7-16)11-15-5-8-19-17(12-15)18(21(22,23)24)13-20(28)26-19/h3-8,12-13H,2,10-11H2,1H3,(H,26,28)