N-[4-(butylcarbamoylsulfamoyl)phenyl]-3,5-dinitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[4-(butylcarbamoylsulfamoyl)phenyl]-3,5-dinitro-4-piperidin-1-yl-benzamide Openeye Name: N-[4-(butylcarbamoylsulfamoyl)phenyl]-3,5-dinitro-4-(1-piperidyl)benzamide CAS Name: N-[4-[[butylamino(oxo)methyl]sulfamoyl]phenyl]-3,5-dinitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[4-(butylcarbamoylsulfamoyl)phenyl]-3,5-dinitro-4-piperidin-1-ylbenzamide Traditional Name: N-[4-(butylcarbamoylsulfamoyl)phenyl]-3,5-dinitro-4-piperidino-benzamide Formula: C23H28N6O8S MolecularWeight: 548.56882

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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-])N3CCCCC3)[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-])N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C23H28N6O8S/c1-2-3-11-24-23(31)26-38(36,37)18-9-7-17(8-10-18)25-22(30)16-14-19(28(32)33)21(20(15-16)29(34)35)27-12-5-4-6-13-27/h7-10,14-15H,2-6,11-13H2,1H3,(H,25,30)(H2,24,26,31)