4-[(4E)-4-[(3-chloranyl-4,5-diethoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzenesulfonamide

Systemtic Name: 4-[(4E)-4-[(3-chloranyl-4,5-diethoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzenesulfonamide Openeye Name: 4-[(4E)-4-[(3-chloro-4,5-diethoxy-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzenesulfonamide CAS Name: 4-[(4E)-4-[(3-chloro-4,5-diethoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzenesulfonamide IUPAC Name: 4-[(4E)-4-[(3-chloro-4,5-diethoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonamide Traditional Name: 4-[(4E)-4-(3-chloro-4,5-diethoxy-benzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]benzenesulfonamide Formula: C21H22ClN3O5S MolecularWeight: 463.93448

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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)Cl)OCC

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O5S/c1-4-29-19-12-14(11-18(22)20(19)30-5-2)10-17-13(3)24-25(21(17)26)15-6-8-16(9-7-15)31(23,27)28/h6-12H,4-5H2,1-3H3,(H2,23,27,28)/b17-10+