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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[(3-methylsulfonylphenyl)carbonylamino]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[(3-methylsulfonylbenzoyl)amino]benzoate CAS Name: 2-[[(3-methylsulfonylphenyl)-oxomethyl]amino]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[(3-methylsulfonylbenzoyl)amino]benzoate Traditional Name: 2-[(3-mesylbenzoyl)amino]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C21H23NO6S MolecularWeight: 417.47542

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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)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO6S/c1-21(2,3)18(23)13-28-20(25)16-10-5-6-11-17(16)22-19(24)14-8-7-9-15(12-14)29(4,26)27/h5-12H,13H2,1-4H3,(H,22,24)