ethyl 6-[(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methylsulfanyl]-5-cyano-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 6-[(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methylsulfanyl]-5-cyano-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 6-[(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methylsulfanyl]-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 6-[(1-butyl-5-sulfamoyl-2-benzimidazolyl)methylthio]-5-cyano-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[(1-butyl-5-sulfamoylbenzimidazol-2-yl)methylsulfanyl]-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-[(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methylthio]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C22H25N5O4S2 MolecularWeight: 487.595

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NC(=C(C=C3C#N)C(=O)OCC)C

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NC(=C(C=C3C#N)C(=O)OCC)C

InChI

InChI=1S/C22H25N5O4S2/c1-4-6-9-27-19-8-7-16(33(24,29)30)11-18(19)26-20(27)13-32-21-15(12-23)10-17(14(3)25-21)22(28)31-5-2/h7-8,10-11H,4-6,9,13H2,1-3H3,(H2,24,29,30)