(2-chloranyl-6-fluoranyl-phenyl)methyl 3-[5-(dimethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 3-[5-(dimethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 3-[5-(dimethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoate CAS Name: 3-[5-(dimethylsulfamoyl)-1-methyl-2-benzimidazolyl]propanoic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoate Traditional Name: 3-[5-(dimethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propionic acid (2-chloro-6-fluoro-benzyl) ester Formula: C20H21ClFN3O4S MolecularWeight: 453.914843

Click to see the large picture

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=C3Cl)F

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CCC(=O)OCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C20H21ClFN3O4S/c1-24(2)30(27,28)13-7-8-18-17(11-13)23-19(25(18)3)9-10-20(26)29-12-14-15(21)5-4-6-16(14)22/h4-8,11H,9-10,12H2,1-3H3