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

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl quinoline-2-carboxylate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl quinoline-2-carboxylate Traditional Name: quinaldic acid (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl ester Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H22N4O4S/c1-2-3-12-26-20-11-9-16(31(23,28)29)13-19(20)25-21(26)14-30-22(27)18-10-8-15-6-4-5-7-17(15)24-18/h4-11,13H,2-3,12,14H2,1H3,(H2,23,28,29)