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

Systemtic Name: N-(2-tert-butylsulfanylethyl)-4-[[2-oxidanylidene-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide Openeye Name: N-(2-tert-butylsulfanylethyl)-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide CAS Name: N-[2-(tert-butylthio)ethyl]-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide IUPAC Name: N-(2-tert-butylsulfanylethyl)-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide Traditional Name: N-[2-(tert-butylthio)ethyl]-4-[[2-keto-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide Formula: C23H25F3N2O3S2 MolecularWeight: 498.58141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25F3N2O3S2/c1-22(2,3)32-11-10-27-33(30,31)17-7-4-15(5-8-17)12-16-6-9-20-18(13-16)19(23(24,25)26)14-21(29)28-20/h4-9,13-14,27H,10-12H2,1-3H3,(H,28,29)