4-[4-(4-methylphenyl)-1-prop-1-ynyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide

Systemtic Name: 4-[4-(4-methylphenyl)-1-prop-1-ynyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide Openeye Name: 4-[1-prop-1-ynyl-4-(p-tolyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide CAS Name: 4-[4-(4-methylphenyl)-1-prop-1-ynyl-5-(trifluoromethyl)-3-pyrazolyl]benzenesulfonamide IUPAC Name: 4-[4-(4-methylphenyl)-1-prop-1-ynyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide Traditional Name: 4-[1-prop-1-ynyl-4-(p-tolyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide Formula: C20H16F3N3O2S MolecularWeight: 419.42015

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Descriptors Computed from Structure

Canonical SMILES:

CC#CN1C(=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC=C(C=C3)C)C(F)(F)F

Isomeric SMILES

CC#CN1C(=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC=C(C=C3)C)C(F)(F)F

InChI

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