5-propan-2-yl-2-(trifluoromethylsulfonylamino)benzoic acid

Systemtic Name: 5-propan-2-yl-2-(trifluoromethylsulfonylamino)benzoic acid Openeye Name: 5-isopropyl-2-(trifluoromethylsulfonylamino)benzoic acid CAS Name: 5-propan-2-yl-2-(trifluoromethylsulfonylamino)benzoic acid IUPAC Name: 5-propan-2-yl-2-(trifluoromethylsulfonylamino)benzoic acid Traditional Name: 5-isopropyl-2-(triflylamino)benzoic acid Formula: C11H12F3NO4S MolecularWeight: 311.27749

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12F3NO4S/c1-6(2)7-3-4-9(8(5-7)10(16)17)15-20(18,19)11(12,13)14/h3-6,15H,1-2H3,(H,16,17)