N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-methyl-3-nitro-benzamide CAS Name: N-[3-(6-ethylsulfonyl-3-pyridazinyl)phenyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[3-(6-esylpyridazin-3-yl)phenyl]-4-methyl-3-nitro-benzamide Formula: C20H18N4O5S MolecularWeight: 426.44572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O5S/c1-3-30(28,29)19-10-9-17(22-23-19)14-5-4-6-16(11-14)21-20(25)15-8-7-13(2)18(12-15)24(26)27/h4-12H,3H2,1-2H3,(H,21,25)