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

Systemtic Name: (3-methylphenyl)methyl 3-[5-(dimethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoate Openeye Name: m-tolylmethyl 3-[5-(dimethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoate CAS Name: 3-[5-(dimethylsulfamoyl)-1-methyl-2-benzimidazolyl]propanoic acid (3-methylphenyl)methyl ester IUPAC Name: (3-methylphenyl)methyl 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoate Traditional Name: 3-[5-(dimethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propionic acid (3-methylbenzyl) ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4S/c1-15-6-5-7-16(12-15)14-28-21(25)11-10-20-22-18-13-17(29(26,27)23(2)3)8-9-19(18)24(20)4/h5-9,12-13H,10-11,14H2,1-4H3