(3,3-dimethyl-2-oxidanylidene-butyl) 2-chloranyl-5-[(4-fluorophenyl)-methyl-sulfamoyl]benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-chloranyl-5-[(4-fluorophenyl)-methyl-sulfamoyl]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-chloro-5-[(4-fluorophenyl)-methyl-sulfamoyl]benzoate CAS Name: 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoate Traditional Name: 2-chloro-5-[(4-fluorophenyl)-methyl-sulfamoyl]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C20H21ClFNO5S MolecularWeight: 441.900843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)F)Cl

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)F)Cl

InChI

InChI=1S/C20H21ClFNO5S/c1-20(2,3)18(24)12-28-19(25)16-11-15(9-10-17(16)21)29(26,27)23(4)14-7-5-13(22)6-8-14/h5-11H,12H2,1-4H3