(3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-[(2-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-[(2-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[2-(2-methylsulfonylanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(2-methylsulfonylanilino)-2-oxoethyl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[2-(2-methylsulfonylanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(2-mesylanilino)ethyl]thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C22H25NO6S2 MolecularWeight: 463.567

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)NC2=CC=CC=C2S(=O)(=O)C

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)NC2=CC=CC=C2S(=O)(=O)C

InChI

InChI=1S/C22H25NO6S2/c1-22(2,3)19(24)13-29-21(26)15-9-5-7-11-17(15)30-14-20(25)23-16-10-6-8-12-18(16)31(4,27)28/h5-12H,13-14H2,1-4H3,(H,23,25)