4,5-dimethoxy-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-2-nitro-benzamide

Systemtic Name: 4,5-dimethoxy-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-2-nitro-benzamide Openeye Name: 4,5-dimethoxy-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-2-nitro-benzamide CAS Name: 4,5-dimethoxy-N-[3-(6-methylsulfonyl-3-pyridazinyl)phenyl]-2-nitrobenzamide IUPAC Name: 4,5-dimethoxy-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-2-nitrobenzamide Traditional Name: N-[3-(6-mesylpyridazin-3-yl)phenyl]-4,5-dimethoxy-2-nitro-benzamide Formula: C20H18N4O7S MolecularWeight: 458.44452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])OC

InChI

InChI=1S/C20H18N4O7S/c1-30-17-10-14(16(24(26)27)11-18(17)31-2)20(25)21-13-6-4-5-12(9-13)15-7-8-19(23-22-15)32(3,28)29/h4-11H,1-3H3,(H,21,25)