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

Systemtic Name: 4-[4-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methylidene]-5-oxidanylidene-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide Openeye Name: 4-[4-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methylene]-5-oxo-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide CAS Name: 4-[4-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-5-oxo-3-(trifluoromethyl)-1-pyrazolyl]benzenesulfonamide IUPAC Name: 4-[4-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-5-oxo-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide Traditional Name: 4-[4-(3-ethoxy-4-propargyloxy-benzylidene)-5-keto-3-(trifluoromethyl)-2-pyrazolin-1-yl]benzenesulfonamide Formula: C22H18F3N3O5S MolecularWeight: 493.45563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=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

CCOC1=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/C22H18F3N3O5S/c1-3-11-33-18-10-5-14(13-19(18)32-4-2)12-17-20(22(23,24)25)27-28(21(17)29)15-6-8-16(9-7-15)34(26,30)31/h1,5-10,12-13H,4,11H2,2H3,(H2,26,30,31)