N-[4-(butylcarbamoylsulfamoyl)phenyl]-3,5-dinitro-4-(propan-2-ylamino)benzamide

Systemtic Name: N-[4-(butylcarbamoylsulfamoyl)phenyl]-3,5-dinitro-4-(propan-2-ylamino)benzamide Openeye Name: N-[4-(butylcarbamoylsulfamoyl)phenyl]-4-(isopropylamino)-3,5-dinitro-benzamide CAS Name: N-[4-[[butylamino(oxo)methyl]sulfamoyl]phenyl]-3,5-dinitro-4-(propan-2-ylamino)benzamide IUPAC Name: N-[4-(butylcarbamoylsulfamoyl)phenyl]-3,5-dinitro-4-(propan-2-ylamino)benzamide Traditional Name: N-[4-(butylcarbamoylsulfamoyl)phenyl]-4-(isopropylamino)-3,5-dinitro-benzamide Formula: C21H26N6O8S MolecularWeight: 522.53154

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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-])NC(C)C)[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-])NC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H26N6O8S/c1-4-5-10-22-21(29)25-36(34,35)16-8-6-15(7-9-16)24-20(28)14-11-17(26(30)31)19(23-13(2)3)18(12-14)27(32)33/h6-9,11-13,23H,4-5,10H2,1-3H3,(H,24,28)(H2,22,25,29)