N-[4-(butylcarbamoylsulfamoyl)phenyl]-4-[(2,4-dimethylphenyl)amino]-3,5-dinitro-benzamide

Systemtic Name: N-[4-(butylcarbamoylsulfamoyl)phenyl]-4-[(2,4-dimethylphenyl)amino]-3,5-dinitro-benzamide Openeye Name: N-[4-(butylcarbamoylsulfamoyl)phenyl]-4-(2,4-dimethylanilino)-3,5-dinitro-benzamide CAS Name: N-[4-[[butylamino(oxo)methyl]sulfamoyl]phenyl]-4-(2,4-dimethylanilino)-3,5-dinitrobenzamide IUPAC Name: N-[4-(butylcarbamoylsulfamoyl)phenyl]-4-(2,4-dimethylanilino)-3,5-dinitrobenzamide Traditional Name: N-[4-(butylcarbamoylsulfamoyl)phenyl]-4-(2,4-dimethylanilino)-3,5-dinitro-benzamide Formula: C26H28N6O8S MolecularWeight: 584.60092

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

InChI

InChI=1S/C26H28N6O8S/c1-4-5-12-27-26(34)30-41(39,40)20-9-7-19(8-10-20)28-25(33)18-14-22(31(35)36)24(23(15-18)32(37)38)29-21-11-6-16(2)13-17(21)3/h6-11,13-15,29H,4-5,12H2,1-3H3,(H,28,33)(H2,27,30,34)