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

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl ester Formula: C18H20N4O5S MolecularWeight: 404.4402

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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=CC=[N+]3[O-]

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)C3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C18H20N4O5S/c1-2-3-9-21-15-8-7-13(28(19,25)26)11-14(15)20-17(21)12-27-18(23)16-6-4-5-10-22(16)24/h4-8,10-11H,2-3,9,12H2,1H3,(H2,19,25,26)