4-[4-(4-methoxy-3-methyl-phenyl)-1-prop-1-ynyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide

Systemtic Name: 4-[4-(4-methoxy-3-methyl-phenyl)-1-prop-1-ynyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide Openeye Name: 4-[4-(4-methoxy-3-methyl-phenyl)-1-prop-1-ynyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide CAS Name: 4-[4-(4-methoxy-3-methylphenyl)-1-prop-1-ynyl-5-(trifluoromethyl)-3-pyrazolyl]benzenesulfonamide IUPAC Name: 4-[4-(4-methoxy-3-methylphenyl)-1-prop-1-ynyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide Traditional Name: 4-[4-(4-methoxy-3-methyl-phenyl)-1-prop-1-ynyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide Formula: C21H18F3N3O3S MolecularWeight: 449.44613

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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)OC)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)OC)C)C(F)(F)F

InChI

InChI=1S/C21H18F3N3O3S/c1-4-11-27-20(21(22,23)24)18(15-7-10-17(30-3)13(2)12-15)19(26-27)14-5-8-16(9-6-14)31(25,28)29/h5-10,12H,1-3H3,(H2,25,28,29)