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

Systemtic Name: N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-2-nitro-benzamide Openeye Name: N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-2-nitro-benzamide CAS Name: N-[3-(6-methylsulfonyl-3-pyridazinyl)phenyl]-2-nitrobenzamide IUPAC Name: N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-2-nitrobenzamide Traditional Name: N-[3-(6-mesylpyridazin-3-yl)phenyl]-2-nitro-benzamide Formula: C18H14N4O5S MolecularWeight: 398.39256

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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=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H14N4O5S/c1-28(26,27)17-10-9-15(20-21-17)12-5-4-6-13(11-12)19-18(23)14-7-2-3-8-16(14)22(24)25/h2-11H,1H3,(H,19,23)