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

Systemtic Name: 1-cyanoethyl 3-[5-(dimethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoate Openeye Name: 1-cyanoethyl 3-[5-(dimethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoate CAS Name: 3-[5-(dimethylsulfamoyl)-1-methyl-2-benzimidazolyl]propanoic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoate Traditional Name: 3-[5-(dimethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propionic acid 1-cyanoethyl ester Formula: C16H20N4O4S MolecularWeight: 364.4194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)CCC1=NC2=C(N1C)C=CC(=C2)S(=O)(=O)N(C)C

Isomeric SMILES

CC(C#N)OC(=O)CCC1=NC2=C(N1C)C=CC(=C2)S(=O)(=O)N(C)C

InChI

InChI=1S/C16H20N4O4S/c1-11(10-17)24-16(21)8-7-15-18-13-9-12(25(22,23)19(2)3)5-6-14(13)20(15)4/h5-6,9,11H,7-8H2,1-4H3