(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-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-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl ester Formula: C18H20N4O5S MolecularWeight: 404.4402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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