(3,3-dimethyl-2-oxidanylidene-butyl) 2-[[3-(methylsulfonylmethyl)phenyl]carbonylamino]benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[[3-(methylsulfonylmethyl)phenyl]carbonylamino]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[[3-(methylsulfonylmethyl)benzoyl]amino]benzoate CAS Name: 2-[[[3-(methylsulfonylmethyl)phenyl]-oxomethyl]amino]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[[3-(methylsulfonylmethyl)benzoyl]amino]benzoate Traditional Name: 2-[[3-(mesylmethyl)benzoyl]amino]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C22H25NO6S MolecularWeight: 431.502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1NC(=O)C2=CC(=CC=C2)CS(=O)(=O)C

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1NC(=O)C2=CC(=CC=C2)CS(=O)(=O)C

InChI

InChI=1S/C22H25NO6S/c1-22(2,3)19(24)13-29-21(26)17-10-5-6-11-18(17)23-20(25)16-9-7-8-15(12-16)14-30(4,27)28/h5-12H,13-14H2,1-4H3,(H,23,25)