[5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]methyl 3-(aminocarbonylamino)-3-phenyl-propanoate

Systemtic Name: [5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]methyl 3-(aminocarbonylamino)-3-phenyl-propanoate Openeye Name: [5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]methyl 3-phenyl-3-ureido-propanoate CAS Name: 3-(carbamoylamino)-3-phenylpropanoic acid [5-(dimethylsulfamoyl)-1-ethyl-2-benzimidazolyl]methyl ester IUPAC Name: [5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 3-(carbamoylamino)-3-phenylpropanoate Traditional Name: 3-phenyl-3-ureido-propionic acid [5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]methyl ester Formula: C22H27N5O5S MolecularWeight: 473.54528

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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)CC(C3=CC=CC=C3)NC(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O5S/c1-4-27-19-11-10-16(33(30,31)26(2)3)12-18(19)24-20(27)14-32-21(28)13-17(25-22(23)29)15-8-6-5-7-9-15/h5-12,17H,4,13-14H2,1-3H3,(H3,23,25,29)