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

Systemtic Name: 3-(2-methylphenyl)-6-prop-1-ynyl-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide Openeye Name: 3-(o-tolyl)-6-prop-1-ynyl-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide CAS Name: 3-(2-methylphenyl)-6-prop-1-ynyl-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide IUPAC Name: 3-(2-methylphenyl)-6-prop-1-ynyl-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide Traditional Name: 3-(o-tolyl)-6-prop-1-ynyl-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide Formula: C20H16F3N3O2S MolecularWeight: 419.42015

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=CC(=C(C(=C1S(=O)(=O)N)C2=CC=NN2)C3=CC=CC=C3C)C(F)(F)F

Isomeric SMILES

CC#CC1=CC(=C(C(=C1S(=O)(=O)N)C2=CC=NN2)C3=CC=CC=C3C)C(F)(F)F

InChI

InChI=1S/C20H16F3N3O2S/c1-3-6-13-11-15(20(21,22)23)17(14-8-5-4-7-12(14)2)18(16-9-10-25-26-16)19(13)29(24,27)28/h4-5,7-11H,1-2H3,(H,25,26)(H2,24,27,28)