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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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