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

Systemtic Name: N-[4-(butylcarbamoylsulfamoyl)phenyl]-4-methyl-3,5-dinitro-benzamide Openeye Name: N-[4-(butylcarbamoylsulfamoyl)phenyl]-4-methyl-3,5-dinitro-benzamide CAS Name: N-[4-[[butylamino(oxo)methyl]sulfamoyl]phenyl]-4-methyl-3,5-dinitrobenzamide IUPAC Name: N-[4-(butylcarbamoylsulfamoyl)phenyl]-4-methyl-3,5-dinitrobenzamide Traditional Name: N-[4-(butylcarbamoylsulfamoyl)phenyl]-4-methyl-3,5-dinitro-benzamide Formula: C19H21N5O8S MolecularWeight: 479.46374

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

InChI

InChI=1S/C19H21N5O8S/c1-3-4-9-20-19(26)22-33(31,32)15-7-5-14(6-8-15)21-18(25)13-10-16(23(27)28)12(2)17(11-13)24(29)30/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,25)(H2,20,22,26)