cyanomethyl 3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]propanoate

Systemtic Name: cyanomethyl 3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]propanoate Openeye Name: cyanomethyl 3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]propanoate CAS Name: 3-[1-butyl-5-(dimethylsulfamoyl)-2-benzimidazolyl]propanoic acid cyanomethyl ester IUPAC Name: cyanomethyl 3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]propanoate Traditional Name: 3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]propionic acid cyanomethyl ester Formula: C18H24N4O4S MolecularWeight: 392.47256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CCC(=O)OCC#N

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CCC(=O)OCC#N

InChI

InChI=1S/C18H24N4O4S/c1-4-5-11-22-16-7-6-14(27(24,25)21(2)3)13-15(16)20-17(22)8-9-18(23)26-12-10-19/h6-7,13H,4-5,8-9,11-12H2,1-3H3