4-[(4E)-4-[(3-bromanyl-4-ethoxy-5-methoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzenesulfonamide

Systemtic Name: 4-[(4E)-4-[(3-bromanyl-4-ethoxy-5-methoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzenesulfonamide Openeye Name: 4-[(4E)-4-[(3-bromo-4-ethoxy-5-methoxy-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzenesulfonamide CAS Name: 4-[(4E)-4-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzenesulfonamide IUPAC Name: 4-[(4E)-4-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonamide Traditional Name: 4-[(4E)-4-(3-bromo-4-ethoxy-5-methoxy-benzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]benzenesulfonamide Formula: C20H20BrN3O5S MolecularWeight: 494.3589

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C=C2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)N)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)/C=C/2\C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)N)C)OC

InChI

InChI=1S/C20H20BrN3O5S/c1-4-29-19-17(21)10-13(11-18(19)28-3)9-16-12(2)23-24(20(16)25)14-5-7-15(8-6-14)30(22,26)27/h5-11H,4H2,1-3H3,(H2,22,26,27)/b16-9+