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

Systemtic Name: N-[4-(butylcarbamoylsulfamoyl)phenyl]-4-morpholin-4-yl-3,5-dinitro-benzamide Openeye Name: N-[4-(butylcarbamoylsulfamoyl)phenyl]-4-morpholino-3,5-dinitro-benzamide CAS Name: N-[4-[[butylamino(oxo)methyl]sulfamoyl]phenyl]-4-(4-morpholinyl)-3,5-dinitrobenzamide IUPAC Name: N-[4-(butylcarbamoylsulfamoyl)phenyl]-4-morpholin-4-yl-3,5-dinitrobenzamide Traditional Name: N-[4-(butylcarbamoylsulfamoyl)phenyl]-4-morpholino-3,5-dinitro-benzamide Formula: C22H26N6O9S MolecularWeight: 550.54164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N6O9S/c1-2-3-8-23-22(30)25-38(35,36)17-6-4-16(5-7-17)24-21(29)15-13-18(27(31)32)20(19(14-15)28(33)34)26-9-11-37-12-10-26/h4-7,13-14H,2-3,8-12H2,1H3,(H,24,29)(H2,23,25,30)