2-azanyl-3,5-dinitro-N-[2-oxidanylidene-2-[[2-[(4-sulfamoylphenyl)carbonylamino]cyclohexyl]amino]ethyl]benzamide

Systemtic Name: 2-azanyl-3,5-dinitro-N-[2-oxidanylidene-2-[[2-[(4-sulfamoylphenyl)carbonylamino]cyclohexyl]amino]ethyl]benzamide Openeye Name: 2-amino-3,5-dinitro-N-[2-oxo-2-[[2-[(4-sulfamoylbenzoyl)amino]cyclohexyl]amino]ethyl]benzamide CAS Name: 2-amino-3,5-dinitro-N-[2-oxo-2-[[2-[[oxo-(4-sulfamoylphenyl)methyl]amino]cyclohexyl]amino]ethyl]benzamide IUPAC Name: 2-amino-3,5-dinitro-N-[2-oxo-2-[[2-[(4-sulfamoylbenzoyl)amino]cyclohexyl]amino]ethyl]benzamide Traditional Name: 2-amino-N-[2-keto-2-[[2-[(4-sulfamoylbenzoyl)amino]cyclohexyl]amino]ethyl]-3,5-dinitro-benzamide Formula: C22H25N7O9S MolecularWeight: 563.5404

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)NC(=O)CNC(=O)C2=CC(=CC(=C2N)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1CCC(C(C1)NC(=O)CNC(=O)C2=CC(=CC(=C2N)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C22H25N7O9S/c23-20-15(9-13(28(33)34)10-18(20)29(35)36)22(32)25-11-19(30)26-16-3-1-2-4-17(16)27-21(31)12-5-7-14(8-6-12)39(24,37)38/h5-10,16-17H,1-4,11,23H2,(H,25,32)(H,26,30)(H,27,31)(H2,24,37,38)