(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 3-(4-cyanophenyl)propanoate

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 3-(4-cyanophenyl)propanoate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 3-(4-cyanophenyl)propanoate CAS Name: 3-(4-cyanophenyl)propanoic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 3-(4-cyanophenyl)propanoate Traditional Name: 3-(4-cyanophenyl)propionic acid (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl ester Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)CCC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)CCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H24N4O4S/c1-2-3-12-26-20-10-9-18(31(24,28)29)13-19(20)25-21(26)15-30-22(27)11-8-16-4-6-17(14-23)7-5-16/h4-7,9-10,13H,2-3,8,11-12,15H2,1H3,(H2,24,28,29)