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

Systemtic Name: [(1R)-1-cyanoethyl] 3-[5-(diethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoate Openeye Name: [(1R)-1-cyanoethyl] 3-[5-(diethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoate CAS Name: 3-[5-(diethylsulfamoyl)-1-methyl-2-benzimidazolyl]propanoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoate Traditional Name: 3-[5-(diethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propionic acid [(1R)-1-cyanoethyl] ester Formula: C18H24N4O4S MolecularWeight: 392.47256

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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)OC(C)C#N)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)CCC(=O)O[C@H](C)C#N)C

InChI

InChI=1S/C18H24N4O4S/c1-5-22(6-2)27(24,25)14-7-8-16-15(11-14)20-17(21(16)4)9-10-18(23)26-13(3)12-19/h7-8,11,13H,5-6,9-10H2,1-4H3/t13-/m1/s1