(3,3-dimethyl-2-oxidanylidene-butyl) 2-[(4-fluoranyl-2-methyl-phenyl)sulfonylamino]benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[(4-fluoranyl-2-methyl-phenyl)sulfonylamino]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[(4-fluoro-2-methyl-phenyl)sulfonylamino]benzoate CAS Name: 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate Traditional Name: 2-[(4-fluoro-2-methyl-phenyl)sulfonylamino]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C20H22FNO5S MolecularWeight: 407.455783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)F)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C20H22FNO5S/c1-13-11-14(21)9-10-17(13)28(25,26)22-16-8-6-5-7-15(16)19(24)27-12-18(23)20(2,3)4/h5-11,22H,12H2,1-4H3