2-chloranyl-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-4-nitro-benzamide CAS Name: 2-chloro-N-[3-(6-methylsulfonyl-3-pyridazinyl)phenyl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[3-(6-mesylpyridazin-3-yl)phenyl]-4-nitro-benzamide Formula: C18H13ClN4O5S MolecularWeight: 432.83762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13ClN4O5S/c1-29(27,28)17-8-7-16(21-22-17)11-3-2-4-12(9-11)20-18(24)14-6-5-13(23(25)26)10-15(14)19/h2-10H,1H3,(H,20,24)