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

Systemtic Name: (2-cyanophenyl)methyl 3-[5-(diethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoate Openeye Name: (2-cyanophenyl)methyl 3-[5-(diethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoate CAS Name: 3-[5-(diethylsulfamoyl)-1-methyl-2-benzimidazolyl]propanoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoate Traditional Name: 3-[5-(diethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propionic acid (2-cyanobenzyl) ester Formula: C23H26N4O4S MolecularWeight: 454.54194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)CCC(=O)OCC3=CC=CC=C3C#N)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)CCC(=O)OCC3=CC=CC=C3C#N)C

InChI

InChI=1S/C23H26N4O4S/c1-4-27(5-2)32(29,30)19-10-11-21-20(14-19)25-22(26(21)3)12-13-23(28)31-16-18-9-7-6-8-17(18)15-24/h6-11,14H,4-5,12-13,16H2,1-3H3