6-(cyanomethyl)-3-(2-methylphenyl)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide

Systemtic Name: 6-(cyanomethyl)-3-(2-methylphenyl)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide Openeye Name: 6-(cyanomethyl)-3-(o-tolyl)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide CAS Name: 6-(cyanomethyl)-3-(2-methylphenyl)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide IUPAC Name: 6-(cyanomethyl)-3-(2-methylphenyl)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide Traditional Name: 6-(cyanomethyl)-3-(o-tolyl)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide Formula: C19H15F3N4O2S MolecularWeight: 420.40821

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C(=C(C=C2C(F)(F)F)CC#N)S(=O)(=O)N)C3=CC=NN3

Isomeric SMILES

CC1=CC=CC=C1C2=C(C(=C(C=C2C(F)(F)F)CC#N)S(=O)(=O)N)C3=CC=NN3

InChI

InChI=1S/C19H15F3N4O2S/c1-11-4-2-3-5-13(11)16-14(19(20,21)22)10-12(6-8-23)18(29(24,27)28)17(16)15-7-9-25-26-15/h2-5,7,9-10H,6H2,1H3,(H,25,26)(H2,24,27,28)