N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]-3,5-dinitro-benzamide

Systemtic Name: N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]-3,5-dinitro-benzamide Openeye Name: N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]-3,5-dinitro-benzamide CAS Name: N-[4-(6-methylsulfonyl-3-pyridazinyl)phenyl]-3,5-dinitrobenzamide IUPAC Name: N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]-3,5-dinitrobenzamide Traditional Name: N-[4-(6-mesylpyridazin-3-yl)phenyl]-3,5-dinitro-benzamide Formula: C18H13N5O7S MolecularWeight: 443.39012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13N5O7S/c1-31(29,30)17-7-6-16(20-21-17)11-2-4-13(5-3-11)19-18(24)12-8-14(22(25)26)10-15(9-12)23(27)28/h2-10H,1H3,(H,19,24)