[5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl 3-(4-fluorophenyl)sulfanylpropanoate

Systemtic Name: [5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl 3-(4-fluorophenyl)sulfanylpropanoate Openeye Name: [5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl 3-(4-fluorophenyl)sulfanylpropanoate CAS Name: 3-[(4-fluorophenyl)thio]propanoic acid [5-(dimethylsulfamoyl)-1-propyl-2-benzimidazolyl]methyl ester IUPAC Name: [5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl 3-(4-fluorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-fluorophenyl)thio]propionic acid [5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl ester Formula: C22H26FN3O4S2 MolecularWeight: 479.587943

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1COC(=O)CCSC3=CC=C(C=C3)F

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1COC(=O)CCSC3=CC=C(C=C3)F

InChI

InChI=1S/C22H26FN3O4S2/c1-4-12-26-20-10-9-18(32(28,29)25(2)3)14-19(20)24-21(26)15-30-22(27)11-13-31-17-7-5-16(23)6-8-17/h5-10,14H,4,11-13,15H2,1-3H3