(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 4-(4-fluorophenyl)-4-oxidanylidene-butanoate

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 4-(4-fluorophenyl)-4-oxidanylidene-butanoate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 4-(4-fluorophenyl)-4-oxo-butanoate CAS Name: 4-(4-fluorophenyl)-4-oxobutanoic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate Traditional Name: 4-(4-fluorophenyl)-4-keto-butyric acid (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl ester Formula: C22H24FN3O5S MolecularWeight: 461.506463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24FN3O5S/c1-2-3-12-26-19-9-8-17(32(24,29)30)13-18(19)25-21(26)14-31-22(28)11-10-20(27)15-4-6-16(23)7-5-15/h4-9,13H,2-3,10-12,14H2,1H3,(H2,24,29,30)