(3,3-dimethyl-2-oxidanylidene-butyl) 2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]benzoate CAS Name: 2-[[3-(dimethylsulfamoyl)phenyl]methylthio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]benzoate Traditional Name: 2-[[3-(dimethylsulfamoyl)benzyl]thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C22H27NO5S2 MolecularWeight: 449.58348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC2=CC(=CC=C2)S(=O)(=O)N(C)C

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC2=CC(=CC=C2)S(=O)(=O)N(C)C

InChI

InChI=1S/C22H27NO5S2/c1-22(2,3)20(24)14-28-21(25)18-11-6-7-12-19(18)29-15-16-9-8-10-17(13-16)30(26,27)23(4)5/h6-13H,14-15H2,1-5H3