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

Systemtic Name: N-[4-(butylcarbamoylsulfamoyl)phenyl]-4-[(2-chlorophenyl)amino]-3,5-dinitro-benzamide Openeye Name: N-[4-(butylcarbamoylsulfamoyl)phenyl]-4-(2-chloroanilino)-3,5-dinitro-benzamide CAS Name: N-[4-[[butylamino(oxo)methyl]sulfamoyl]phenyl]-4-(2-chloroanilino)-3,5-dinitrobenzamide IUPAC Name: N-[4-(butylcarbamoylsulfamoyl)phenyl]-4-(2-chloroanilino)-3,5-dinitrobenzamide Traditional Name: N-[4-(butylcarbamoylsulfamoyl)phenyl]-4-(2-chloroanilino)-3,5-dinitro-benzamide Formula: C24H23ClN6O8S MolecularWeight: 590.99282

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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=C3Cl)[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=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C24H23ClN6O8S/c1-2-3-12-26-24(33)29-40(38,39)17-10-8-16(9-11-17)27-23(32)15-13-20(30(34)35)22(21(14-15)31(36)37)28-19-7-5-4-6-18(19)25/h4-11,13-14,28H,2-3,12H2,1H3,(H,27,32)(H2,26,29,33)