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

Systemtic Name: [5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]methyl 3-[(2-methylphenyl)carbonylamino]propanoate Openeye Name: [5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]methyl 3-[(2-methylbenzoyl)amino]propanoate CAS Name: 3-[[(2-methylphenyl)-oxomethyl]amino]propanoic acid [5-(dimethylsulfamoyl)-1-ethyl-2-benzimidazolyl]methyl ester IUPAC Name: [5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 3-[(2-methylbenzoyl)amino]propanoate Traditional Name: 3-(o-toluoylamino)propionic acid [5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]methyl ester Formula: C23H28N4O5S MolecularWeight: 472.55722

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1COC(=O)CCNC(=O)C3=CC=CC=C3C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1COC(=O)CCNC(=O)C3=CC=CC=C3C

InChI

InChI=1S/C23H28N4O5S/c1-5-27-20-11-10-17(33(30,31)26(3)4)14-19(20)25-21(27)15-32-22(28)12-13-24-23(29)18-9-7-6-8-16(18)2/h6-11,14H,5,12-13,15H2,1-4H3,(H,24,29)