(3,5-dimethylphenyl)methyl 3-[5-(dimethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoate

Systemtic Name: (3,5-dimethylphenyl)methyl 3-[5-(dimethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoate Openeye Name: (3,5-dimethylphenyl)methyl 3-[5-(dimethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoate CAS Name: 3-[5-(dimethylsulfamoyl)-1-methyl-2-benzimidazolyl]propanoic acid (3,5-dimethylphenyl)methyl ester IUPAC Name: (3,5-dimethylphenyl)methyl 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoate Traditional Name: 3-[5-(dimethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propionic acid (3,5-dimethylbenzyl) ester Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)COC(=O)CCC2=NC3=C(N2C)C=CC(=C3)S(=O)(=O)N(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)COC(=O)CCC2=NC3=C(N2C)C=CC(=C3)S(=O)(=O)N(C)C)C

InChI

InChI=1S/C22H27N3O4S/c1-15-10-16(2)12-17(11-15)14-29-22(26)9-8-21-23-19-13-18(30(27,28)24(3)4)6-7-20(19)25(21)5/h6-7,10-13H,8-9,14H2,1-5H3