4-[(4E)-3-methyl-4-[(3-nitrophenyl)methylidene]-5-oxidanylidene-pyrazol-1-yl]benzenesulfonamide

Systemtic Name: 4-[(4E)-3-methyl-4-[(3-nitrophenyl)methylidene]-5-oxidanylidene-pyrazol-1-yl]benzenesulfonamide Openeye Name: 4-[(4E)-3-methyl-4-[(3-nitrophenyl)methylene]-5-oxo-pyrazol-1-yl]benzenesulfonamide CAS Name: 4-[(4E)-3-methyl-4-[(3-nitrophenyl)methylidene]-5-oxo-1-pyrazolyl]benzenesulfonamide IUPAC Name: 4-[(4E)-3-methyl-4-[(3-nitrophenyl)methylidene]-5-oxopyrazol-1-yl]benzenesulfonamide Traditional Name: 4-[(4E)-5-keto-3-methyl-4-(3-nitrobenzylidene)-2-pyrazolin-1-yl]benzenesulfonamide Formula: C17H14N4O5S MolecularWeight: 386.38186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C17H14N4O5S/c1-11-16(10-12-3-2-4-14(9-12)21(23)24)17(22)20(19-11)13-5-7-15(8-6-13)27(18,25)26/h2-10H,1H3,(H2,18,25,26)/b16-10+