2-(methylamino)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-5-nitro-benzamide

Systemtic Name: 2-(methylamino)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-5-nitro-benzamide Openeye Name: 2-(methylamino)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-5-nitro-benzamide CAS Name: 2-(methylamino)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-5-nitrobenzamide IUPAC Name: 2-(methylamino)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-5-nitrobenzamide Traditional Name: 2-(methylamino)-N-[4-(methylsulfamoylmethyl)benzyl]-5-nitro-benzamide Formula: C17H20N4O5S MolecularWeight: 392.4295

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCC2=CC=C(C=C2)CS(=O)(=O)NC

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCC2=CC=C(C=C2)CS(=O)(=O)NC

InChI

InChI=1S/C17H20N4O5S/c1-18-16-8-7-14(21(23)24)9-15(16)17(22)20-10-12-3-5-13(6-4-12)11-27(25,26)19-2/h3-9,18-19H,10-11H2,1-2H3,(H,20,22)