N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]-4-morpholin-4-yl-3,5-dinitro-benzamide

Systemtic Name: N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]-4-morpholin-4-yl-3,5-dinitro-benzamide Openeye Name: N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]-4-morpholino-3,5-dinitro-benzamide CAS Name: N-[4-[(6-methoxy-3-pyridazinyl)sulfamoyl]phenyl]-4-(4-morpholinyl)-3,5-dinitrobenzamide IUPAC Name: N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]-4-morpholin-4-yl-3,5-dinitrobenzamide Traditional Name: N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]-4-morpholino-3,5-dinitro-benzamide Formula: C22H21N7O9S MolecularWeight: 559.50864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

COC1=NN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N7O9S/c1-37-20-7-6-19(24-25-20)26-39(35,36)16-4-2-15(3-5-16)23-22(30)14-12-17(28(31)32)21(18(13-14)29(33)34)27-8-10-38-11-9-27/h2-7,12-13H,8-11H2,1H3,(H,23,30)(H,24,26)