4-[[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]sulfanylmethyl]-3-nitro-benzamide

Systemtic Name: 4-[[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[[1-butyl-5-(dimethylsulfamoyl)-2-benzimidazolyl]thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]thio]methyl]-3-nitro-benzamide Formula: C21H25N5O5S2 MolecularWeight: 491.5837

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O5S2/c1-4-5-10-25-18-9-8-16(33(30,31)24(2)3)12-17(18)23-21(25)32-13-15-7-6-14(20(22)27)11-19(15)26(28)29/h6-9,11-12H,4-5,10,13H2,1-3H3,(H2,22,27)