(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl ester Formula: C19H22N4O4S2 MolecularWeight: 434.53238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)C3=C(N=CC=C3)SC

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)C3=C(N=CC=C3)SC

InChI

InChI=1S/C19H22N4O4S2/c1-3-4-10-23-16-8-7-13(29(20,25)26)11-15(16)22-17(23)12-27-19(24)14-6-5-9-21-18(14)28-2/h5-9,11H,3-4,10,12H2,1-2H3,(H2,20,25,26)