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

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 2-ethoxypyridine-3-carboxylate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 2-ethoxypyridine-3-carboxylate CAS Name: 2-ethoxy-3-pyridinecarboxylic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 2-ethoxypyridine-3-carboxylate Traditional Name: 2-ethoxynicotinic acid (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl ester Formula: C20H24N4O5S MolecularWeight: 432.49336

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=C(N=CC=C3)OCC

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O5S/c1-3-5-11-24-17-9-8-14(30(21,26)27)12-16(17)23-18(24)13-29-20(25)15-7-6-10-22-19(15)28-4-2/h6-10,12H,3-5,11,13H2,1-2H3,(H2,21,26,27)