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

Systemtic Name: (4-methylphenyl) 3-[5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]propanoate Openeye Name: p-tolyl 3-[5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]propanoate CAS Name: 3-[5-(dimethylsulfamoyl)-1-ethyl-2-benzimidazolyl]propanoic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoate Traditional Name: 3-[5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]propionic acid p-tolyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CCC(=O)OC3=CC=C(C=C3)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CCC(=O)OC3=CC=C(C=C3)C

InChI

InChI=1S/C21H25N3O4S/c1-5-24-19-11-10-17(29(26,27)23(3)4)14-18(19)22-20(24)12-13-21(25)28-16-8-6-15(2)7-9-16/h6-11,14H,5,12-13H2,1-4H3