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

Systemtic Name: 6-(cyanomethyl)-3-phenyl-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide Openeye Name: 6-(cyanomethyl)-3-phenyl-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide CAS Name: 6-(cyanomethyl)-3-phenyl-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide IUPAC Name: 6-(cyanomethyl)-3-phenyl-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide Traditional Name: 6-(cyanomethyl)-3-phenyl-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide Formula: C18H13F3N4O2S MolecularWeight: 406.38163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13F3N4O2S/c19-18(20,21)13-10-12(6-8-22)17(28(23,26)27)16(14-7-9-24-25-14)15(13)11-4-2-1-3-5-11/h1-5,7,9-10H,6H2,(H,24,25)(H2,23,26,27)