(3-propan-2-ylphenyl) 4-[2,2,2-tris(fluoranyl)ethylcarbamoyl]benzenesulfonate

Systemtic Name: (3-propan-2-ylphenyl) 4-[2,2,2-tris(fluoranyl)ethylcarbamoyl]benzenesulfonate Openeye Name: (3-isopropylphenyl) 4-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonate CAS Name: 4-[oxo-(2,2,2-trifluoroethylamino)methyl]benzenesulfonic acid (3-propan-2-ylphenyl) ester IUPAC Name: (3-propan-2-ylphenyl) 4-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonate Traditional Name: 4-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonic acid m-cumenyl ester Formula: C18H18F3NO4S MolecularWeight: 401.40003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)C(=O)NCC(F)(F)F

Isomeric SMILES

CC(C)C1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)C(=O)NCC(F)(F)F

InChI

InChI=1S/C18H18F3NO4S/c1-12(2)14-4-3-5-15(10-14)26-27(24,25)16-8-6-13(7-9-16)17(23)22-11-18(19,20)21/h3-10,12H,11H2,1-2H3,(H,22,23)