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

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 3-[5-(dimethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 3-[5-(dimethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoate CAS Name: 3-[5-(dimethylsulfamoyl)-1-methyl-2-benzimidazolyl]propanoic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoate Traditional Name: 3-[5-(dimethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propionic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O5S/c1-15-5-7-16(8-6-15)20(26)14-30-22(27)12-11-21-23-18-13-17(31(28,29)24(2)3)9-10-19(18)25(21)4/h5-10,13H,11-12,14H2,1-4H3