(3,3-dimethyl-2-oxidanylidene-butyl) 4-(2-cyanoethylsulfamoyl)benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-(2-cyanoethylsulfamoyl)benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-(2-cyanoethylsulfamoyl)benzoate CAS Name: 4-(2-cyanoethylsulfamoyl)benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-(2-cyanoethylsulfamoyl)benzoate Traditional Name: 4-(2-cyanoethylsulfamoyl)benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C16H20N2O5S MolecularWeight: 352.4054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCC#N

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCC#N

InChI

InChI=1S/C16H20N2O5S/c1-16(2,3)14(19)11-23-15(20)12-5-7-13(8-6-12)24(21,22)18-10-4-9-17/h5-8,18H,4,10-11H2,1-3H3