(3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[2-(4-methylsulfonylanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(4-methylsulfonylanilino)-2-oxoethyl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[2-(4-methylsulfonylanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(4-mesylanilino)ethyl]thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C22H25NO6S2 MolecularWeight: 463.567

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)C

InChI

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