6-(cyanomethyl)-3-(4-methoxy-3-methyl-phenyl)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide

Systemtic Name: 6-(cyanomethyl)-3-(4-methoxy-3-methyl-phenyl)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide Openeye Name: 6-(cyanomethyl)-3-(4-methoxy-3-methyl-phenyl)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide CAS Name: 6-(cyanomethyl)-3-(4-methoxy-3-methylphenyl)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide IUPAC Name: 6-(cyanomethyl)-3-(4-methoxy-3-methylphenyl)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide Traditional Name: 6-(cyanomethyl)-3-(4-methoxy-3-methyl-phenyl)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide Formula: C20H17F3N4O3S MolecularWeight: 450.43419

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=C(C(=C(C=C2C(F)(F)F)CC#N)S(=O)(=O)N)C3=CC=NN3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C2=C(C(=C(C=C2C(F)(F)F)CC#N)S(=O)(=O)N)C3=CC=NN3)OC

InChI

InChI=1S/C20H17F3N4O3S/c1-11-9-12(3-4-16(11)30-2)17-14(20(21,22)23)10-13(5-7-24)19(31(25,28)29)18(17)15-6-8-26-27-15/h3-4,6,8-10H,5H2,1-2H3,(H,26,27)(H2,25,28,29)