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

Systemtic Name: 4-bromanyl-N-[4-(butylcarbamoylsulfamoyl)phenyl]-3,5-dinitro-benzamide Openeye Name: 4-bromo-N-[4-(butylcarbamoylsulfamoyl)phenyl]-3,5-dinitro-benzamide CAS Name: 4-bromo-N-[4-[[butylamino(oxo)methyl]sulfamoyl]phenyl]-3,5-dinitrobenzamide IUPAC Name: 4-bromo-N-[4-(butylcarbamoylsulfamoyl)phenyl]-3,5-dinitrobenzamide Traditional Name: 4-bromo-N-[4-(butylcarbamoylsulfamoyl)phenyl]-3,5-dinitro-benzamide Formula: C18H18BrN5O8S MolecularWeight: 544.33322

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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-])Br)[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-])Br)[N+](=O)[O-]

InChI

InChI=1S/C18H18BrN5O8S/c1-2-3-8-20-18(26)22-33(31,32)13-6-4-12(5-7-13)21-17(25)11-9-14(23(27)28)16(19)15(10-11)24(29)30/h4-7,9-10H,2-3,8H2,1H3,(H,21,25)(H2,20,22,26)