N-(4-cyano-3-methylsulfanyl-1H-pyrazol-5-yl)-4-[[2-oxidanylidene-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide

Systemtic Name: N-(4-cyano-3-methylsulfanyl-1H-pyrazol-5-yl)-4-[[2-oxidanylidene-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide Openeye Name: N-(4-cyano-3-methylsulfanyl-1H-pyrazol-5-yl)-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide CAS Name: N-[4-cyano-3-(methylthio)-1H-pyrazol-5-yl]-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide IUPAC Name: N-(4-cyano-3-methylsulfanyl-1H-pyrazol-5-yl)-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide Traditional Name: N-[4-cyano-3-(methylthio)-1H-pyrazol-5-yl]-4-[[2-keto-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide Formula: C22H16F3N5O3S2 MolecularWeight: 519.51935

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NNC(=C1C#N)NS(=O)(=O)C2=CC=C(C=C2)CC3=CC4=C(C=C3)NC(=O)C=C4C(F)(F)F

Isomeric SMILES

CSC1=NNC(=C1C#N)NS(=O)(=O)C2=CC=C(C=C2)CC3=CC4=C(C=C3)NC(=O)C=C4C(F)(F)F

InChI

InChI=1S/C22H16F3N5O3S2/c1-34-21-16(11-26)20(28-29-21)30-35(32,33)14-5-2-12(3-6-14)8-13-4-7-18-15(9-13)17(22(23,24)25)10-19(31)27-18/h2-7,9-10H,8H2,1H3,(H,27,31)(H2,28,29,30)