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

Systemtic Name: 4-[(4E)-4-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzenesulfonamide Openeye Name: 4-[(4E)-4-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzenesulfonamide CAS Name: 4-[(4E)-4-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzenesulfonamide IUPAC Name: 4-[(4E)-4-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonamide Traditional Name: 4-[(4E)-4-(3-ethoxy-4-propargyloxy-benzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]benzenesulfonamide Formula: C22H21N3O5S MolecularWeight: 439.48424

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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)OCC#C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/2\C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)N)C)OCC#C

InChI

InChI=1S/C22H21N3O5S/c1-4-12-30-20-11-6-16(14-21(20)29-5-2)13-19-15(3)24-25(22(19)26)17-7-9-18(10-8-17)31(23,27)28/h1,6-11,13-14H,5,12H2,2-3H3,(H2,23,27,28)/b19-13+