(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 5-nitrofuran-2-carboxylate

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 5-nitrofuran-2-carboxylate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl ester Formula: C17H18N4O7S MolecularWeight: 422.41242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O7S/c1-2-3-8-20-13-5-4-11(29(18,25)26)9-12(13)19-15(20)10-27-17(22)14-6-7-16(28-14)21(23)24/h4-7,9H,2-3,8,10H2,1H3,(H2,18,25,26)