(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 3-(4-fluorophenyl)propanoate

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 3-(4-fluorophenyl)propanoate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 3-(4-fluorophenyl)propanoate CAS Name: 3-(4-fluorophenyl)propanoic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 3-(4-fluorophenyl)propanoate Traditional Name: 3-(4-fluorophenyl)propionic acid (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl ester Formula: C21H24FN3O4S MolecularWeight: 433.496363

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)CCC3=CC=C(C=C3)F

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)CCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H24FN3O4S/c1-2-3-12-25-19-10-9-17(30(23,27)28)13-18(19)24-20(25)14-29-21(26)11-6-15-4-7-16(22)8-5-15/h4-5,7-10,13H,2-3,6,11-12,14H2,1H3,(H2,23,27,28)