methyl 3-[3-[5-(diethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoylamino]propanoate

Systemtic Name: methyl 3-[3-[5-(diethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoylamino]propanoate Openeye Name: methyl 3-[3-[5-(diethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoylamino]propanoate CAS Name: 3-[[3-[5-(diethylsulfamoyl)-1-methyl-2-benzimidazolyl]-1-oxopropyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoylamino]propanoate Traditional Name: 3-[3-[5-(diethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoylamino]propionic acid methyl ester Formula: C19H28N4O5S MolecularWeight: 424.51442

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)CCC(=O)NCCC(=O)OC)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)CCC(=O)NCCC(=O)OC)C

InChI

InChI=1S/C19H28N4O5S/c1-5-23(6-2)29(26,27)14-7-8-16-15(13-14)21-17(22(16)3)9-10-18(24)20-12-11-19(25)28-4/h7-8,13H,5-6,9-12H2,1-4H3,(H,20,24)