4-[1-(cyanomethyl)-4-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)N)CC#N)C(F)(F)F

Isomeric SMILES

CC1=CC=CC=C1C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)N)CC#N)C(F)(F)F

InChI

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