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

Systemtic Name: 2-methyl-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-3-nitro-benzamide Openeye Name: 2-methyl-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-3-nitro-benzamide CAS Name: 2-methyl-N-[3-(6-methylsulfonyl-3-pyridazinyl)phenyl]-3-nitrobenzamide IUPAC Name: 2-methyl-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-3-nitrobenzamide Traditional Name: N-[3-(6-mesylpyridazin-3-yl)phenyl]-2-methyl-3-nitro-benzamide Formula: C19H16N4O5S MolecularWeight: 412.41914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C19H16N4O5S/c1-12-15(7-4-8-17(12)23(25)26)19(24)20-14-6-3-5-13(11-14)16-9-10-18(22-21-16)29(2,27)28/h3-11H,1-2H3,(H,20,24)