tert-butyl 5-chloranyl-2-(trifluoromethylsulfonylamino)benzoate

Systemtic Name: tert-butyl 5-chloranyl-2-(trifluoromethylsulfonylamino)benzoate Openeye Name: tert-butyl 5-chloro-2-(trifluoromethylsulfonylamino)benzoate CAS Name: 5-chloro-2-(trifluoromethylsulfonylamino)benzoic acid tert-butyl ester IUPAC Name: tert-butyl 5-chloro-2-(trifluoromethylsulfonylamino)benzoate Traditional Name: 5-chloro-2-(triflylamino)benzoic acid tert-butyl ester Formula: C12H13ClF3NO4S MolecularWeight: 359.74913

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C=CC(=C1)Cl)NS(=O)(=O)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C=CC(=C1)Cl)NS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C12H13ClF3NO4S/c1-11(2,3)21-10(18)8-6-7(13)4-5-9(8)17-22(19,20)12(14,15)16/h4-6,17H,1-3H3