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

Systemtic Name: N-[4-(butylcarbamoylsulfamoyl)phenyl]-3,5-dinitro-benzamide Openeye Name: N-[4-(butylcarbamoylsulfamoyl)phenyl]-3,5-dinitro-benzamide CAS Name: N-[4-[[butylamino(oxo)methyl]sulfamoyl]phenyl]-3,5-dinitrobenzamide IUPAC Name: N-[4-(butylcarbamoylsulfamoyl)phenyl]-3,5-dinitrobenzamide Traditional Name: N-[4-(butylcarbamoylsulfamoyl)phenyl]-3,5-dinitro-benzamide Formula: C18H19N5O8S MolecularWeight: 465.43716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5O8S/c1-2-3-8-19-18(25)21-32(30,31)16-6-4-13(5-7-16)20-17(24)12-9-14(22(26)27)11-15(10-12)23(28)29/h4-7,9-11H,2-3,8H2,1H3,(H,20,24)(H2,19,21,25)