(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 6-morpholin-4-ylpyridine-3-carboxylate

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 6-morpholin-4-ylpyridine-3-carboxylate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 6-morpholinopyridine-3-carboxylate CAS Name: 6-(4-morpholinyl)-3-pyridinecarboxylic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 6-morpholin-4-ylpyridine-3-carboxylate Traditional Name: 6-morpholinonicotinic acid (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl ester Formula: C22H27N5O5S MolecularWeight: 473.54528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)C3=CN=C(C=C3)N4CCOCC4

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)C3=CN=C(C=C3)N4CCOCC4

InChI

InChI=1S/C22H27N5O5S/c1-2-3-8-27-19-6-5-17(33(23,29)30)13-18(19)25-21(27)15-32-22(28)16-4-7-20(24-14-16)26-9-11-31-12-10-26/h4-7,13-14H,2-3,8-12,15H2,1H3,(H2,23,29,30)