(2-ethanoyl-5-methyl-phenyl) 4-[2,2,2-tris(fluoranyl)ethylcarbamoyl]benzenesulfonate

Systemtic Name: (2-ethanoyl-5-methyl-phenyl) 4-[2,2,2-tris(fluoranyl)ethylcarbamoyl]benzenesulfonate Openeye Name: (2-acetyl-5-methyl-phenyl) 4-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonate CAS Name: 4-[oxo-(2,2,2-trifluoroethylamino)methyl]benzenesulfonic acid (2-acetyl-5-methylphenyl) ester IUPAC Name: (2-acetyl-5-methylphenyl) 4-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonate Traditional Name: 4-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonic acid (2-acetyl-5-methyl-phenyl) ester Formula: C18H16F3NO5S MolecularWeight: 415.38355

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C)OS(=O)(=O)C2=CC=C(C=C2)C(=O)NCC(F)(F)F

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C)OS(=O)(=O)C2=CC=C(C=C2)C(=O)NCC(F)(F)F

InChI

InChI=1S/C18H16F3NO5S/c1-11-3-8-15(12(2)23)16(9-11)27-28(25,26)14-6-4-13(5-7-14)17(24)22-10-18(19,20)21/h3-9H,10H2,1-2H3,(H,22,24)