4-[4-[(3-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-5-oxidanylidene-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

Systemtic Name: 4-[4-[(3-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-5-oxidanylidene-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide Openeye Name: 4-[4-[(3-methoxy-4-prop-2-ynoxy-phenyl)methylene]-5-oxo-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide CAS Name: 4-[4-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-5-oxo-3-(trifluoromethyl)-1-pyrazolyl]benzenesulfonamide IUPAC Name: 4-[4-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-5-oxo-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide Traditional Name: 4-[5-keto-4-(3-methoxy-4-propargyloxy-benzylidene)-3-(trifluoromethyl)-2-pyrazolin-1-yl]benzenesulfonamide Formula: C21H16F3N3O5S MolecularWeight: 479.42905

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F)OCC#C

Isomeric SMILES

COC1=C(C=CC(=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F)OCC#C

InChI

InChI=1S/C21H16F3N3O5S/c1-3-10-32-17-9-4-13(12-18(17)31-2)11-16-19(21(22,23)24)26-27(20(16)28)14-5-7-15(8-6-14)33(25,29)30/h1,4-9,11-12H,10H2,2H3,(H2,25,29,30)