N-[4-[(4,6-dimethylcyclohexa-2,4-dien-1-yl)sulfamoyl]phenyl]-4-morpholin-4-yl-3,5-dinitro-benzamide

Systemtic Name: N-[4-[(4,6-dimethylcyclohexa-2,4-dien-1-yl)sulfamoyl]phenyl]-4-morpholin-4-yl-3,5-dinitro-benzamide Openeye Name: N-[4-[(4,6-dimethylcyclohexa-2,4-dien-1-yl)sulfamoyl]phenyl]-4-morpholino-3,5-dinitro-benzamide CAS Name: N-[4-[(4,6-dimethyl-1-cyclohexa-2,4-dienyl)sulfamoyl]phenyl]-4-(4-morpholinyl)-3,5-dinitrobenzamide IUPAC Name: N-[4-[(4,6-dimethylcyclohexa-2,4-dien-1-yl)sulfamoyl]phenyl]-4-morpholin-4-yl-3,5-dinitrobenzamide Traditional Name: N-[4-[(4,6-dimethylcyclohexa-2,4-dien-1-yl)sulfamoyl]phenyl]-4-morpholino-3,5-dinitro-benzamide Formula: C25H27N5O8S MolecularWeight: 557.57558

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(C=CC1NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])N4CCOCC4)[N+](=O)[O-])C

Isomeric SMILES

CC1C=C(C=CC1NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])N4CCOCC4)[N+](=O)[O-])C

InChI

InChI=1S/C25H27N5O8S/c1-16-3-8-21(17(2)13-16)27-39(36,37)20-6-4-19(5-7-20)26-25(31)18-14-22(29(32)33)24(23(15-18)30(34)35)28-9-11-38-12-10-28/h3-8,13-15,17,21,27H,9-12H2,1-2H3,(H,26,31)