(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 3-cyanobenzoate

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 3-cyanobenzoate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl ester Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O4S/c1-2-3-9-24-18-8-7-16(29(22,26)27)11-17(18)23-19(24)13-28-20(25)15-6-4-5-14(10-15)12-21/h4-8,10-11H,2-3,9,13H2,1H3,(H2,22,26,27)