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

Systemtic Name: N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2-methyl-3-nitro-benzamide CAS Name: N-[3-(6-ethylsulfonyl-3-pyridazinyl)phenyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[3-(6-esylpyridazin-3-yl)phenyl]-2-methyl-3-nitro-benzamide Formula: C20H18N4O5S MolecularWeight: 426.44572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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