(5-fluoranyl-2-methoxy-phenyl)methyl 3-[5-(dimethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoate

Systemtic Name: (5-fluoranyl-2-methoxy-phenyl)methyl 3-[5-(dimethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoate Openeye Name: (5-fluoro-2-methoxy-phenyl)methyl 3-[5-(dimethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoate CAS Name: 3-[5-(dimethylsulfamoyl)-1-methyl-2-benzimidazolyl]propanoic acid (5-fluoro-2-methoxyphenyl)methyl ester IUPAC Name: (5-fluoro-2-methoxyphenyl)methyl 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoate Traditional Name: 3-[5-(dimethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propionic acid (5-fluoro-2-methoxy-benzyl) ester Formula: C21H24FN3O5S MolecularWeight: 449.495763

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CCC(=O)OCC3=C(C=CC(=C3)F)OC

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CCC(=O)OCC3=C(C=CC(=C3)F)OC

InChI

InChI=1S/C21H24FN3O5S/c1-24(2)31(27,28)16-6-7-18-17(12-16)23-20(25(18)3)9-10-21(26)30-13-14-11-15(22)5-8-19(14)29-4/h5-8,11-12H,9-10,13H2,1-4H3