4-[4-(4-methylphenyl)-5-prop-2-ynyl-5-(trifluoromethyl)-1,2-dihydropyrazol-3-yl]benzenesulfonamide

Systemtic Name: 4-[4-(4-methylphenyl)-5-prop-2-ynyl-5-(trifluoromethyl)-1,2-dihydropyrazol-3-yl]benzenesulfonamide Openeye Name: 4-[5-prop-2-ynyl-4-(p-tolyl)-5-(trifluoromethyl)-1,2-dihydropyrazol-3-yl]benzenesulfonamide CAS Name: 4-[4-(4-methylphenyl)-5-prop-2-ynyl-5-(trifluoromethyl)-1,2-dihydropyrazol-3-yl]benzenesulfonamide IUPAC Name: 4-[4-(4-methylphenyl)-5-prop-2-ynyl-5-(trifluoromethyl)-1,2-dihydropyrazol-3-yl]benzenesulfonamide Traditional Name: 4-[5-propargyl-4-(p-tolyl)-5-(trifluoromethyl)-3-pyrazolin-3-yl]benzenesulfonamide Formula: C20H18F3N3O2S MolecularWeight: 421.43603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(NNC2(CC#C)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(NNC2(CC#C)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C20H18F3N3O2S/c1-3-12-19(20(21,22)23)17(14-6-4-13(2)5-7-14)18(25-26-19)15-8-10-16(11-9-15)29(24,27)28/h1,4-11,25-26H,12H2,2H3,(H2,24,27,28)