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

Systemtic Name: N-[4-(butylcarbamoylsulfamoyl)phenyl]-4-[(4-methylphenyl)amino]-3,5-dinitro-benzamide Openeye Name: N-[4-(butylcarbamoylsulfamoyl)phenyl]-4-(4-methylanilino)-3,5-dinitro-benzamide CAS Name: N-[4-[[butylamino(oxo)methyl]sulfamoyl]phenyl]-4-(4-methylanilino)-3,5-dinitrobenzamide IUPAC Name: N-[4-(butylcarbamoylsulfamoyl)phenyl]-4-(4-methylanilino)-3,5-dinitrobenzamide Traditional Name: N-[4-(butylcarbamoylsulfamoyl)phenyl]-3,5-dinitro-4-(p-toluidino)benzamide Formula: C25H26N6O8S MolecularWeight: 570.57434

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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-])NC3=CC=C(C=C3)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-])NC3=CC=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C25H26N6O8S/c1-3-4-13-26-25(33)29-40(38,39)20-11-9-19(10-12-20)28-24(32)17-14-21(30(34)35)23(22(15-17)31(36)37)27-18-7-5-16(2)6-8-18/h5-12,14-15,27H,3-4,13H2,1-2H3,(H,28,32)(H2,26,29,33)