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

Systemtic Name: N-[4-(butylcarbamoylsulfamoyl)phenyl]-3,5-dinitro-4-phenylazanyl-benzamide Openeye Name: 4-anilino-N-[4-(butylcarbamoylsulfamoyl)phenyl]-3,5-dinitro-benzamide CAS Name: 4-anilino-N-[4-[[butylamino(oxo)methyl]sulfamoyl]phenyl]-3,5-dinitrobenzamide IUPAC Name: 4-anilino-N-[4-(butylcarbamoylsulfamoyl)phenyl]-3,5-dinitrobenzamide Traditional Name: 4-anilino-N-[4-(butylcarbamoylsulfamoyl)phenyl]-3,5-dinitro-benzamide Formula: C24H24N6O8S MolecularWeight: 556.54776

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

InChI

InChI=1S/C24H24N6O8S/c1-2-3-13-25-24(32)28-39(37,38)19-11-9-18(10-12-19)27-23(31)16-14-20(29(33)34)22(21(15-16)30(35)36)26-17-7-5-4-6-8-17/h4-12,14-15,26H,2-3,13H2,1H3,(H,27,31)(H2,25,28,32)