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

Systemtic Name: N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4,5-dimethoxy-2-nitro-benzamide Openeye Name: N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4,5-dimethoxy-2-nitro-benzamide CAS Name: N-[3-(6-ethylsulfonyl-3-pyridazinyl)phenyl]-4,5-dimethoxy-2-nitrobenzamide IUPAC Name: N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4,5-dimethoxy-2-nitrobenzamide Traditional Name: N-[3-(6-esylpyridazin-3-yl)phenyl]-4,5-dimethoxy-2-nitro-benzamide Formula: C21H20N4O7S MolecularWeight: 472.4711

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NN=C(C=C1)C2=CC(=CC=C2)NC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC

Isomeric SMILES

CCS(=O)(=O)C1=NN=C(C=C1)C2=CC(=CC=C2)NC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC

InChI

InChI=1S/C21H20N4O7S/c1-4-33(29,30)20-9-8-16(23-24-20)13-6-5-7-14(10-13)22-21(26)15-11-18(31-2)19(32-3)12-17(15)25(27)28/h5-12H,4H2,1-3H3,(H,22,26)