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

Systemtic Name: N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-4-morpholin-4-yl-3,5-dinitro-benzamide Openeye Name: 4-morpholino-3,5-dinitro-N-[4-(p-tolylsulfamoyl)phenyl]benzamide CAS Name: N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-4-(4-morpholinyl)-3,5-dinitrobenzamide IUPAC Name: N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-4-morpholin-4-yl-3,5-dinitrobenzamide Traditional Name: 4-morpholino-3,5-dinitro-N-[4-(p-tolylsulfamoyl)phenyl]benzamide Formula: C24H23N5O8S MolecularWeight: 541.53312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=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

CC1=CC=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/C24H23N5O8S/c1-16-2-4-19(5-3-16)26-38(35,36)20-8-6-18(7-9-20)25-24(30)17-14-21(28(31)32)23(22(15-17)29(33)34)27-10-12-37-13-11-27/h2-9,14-15,26H,10-13H2,1H3,(H,25,30)