[4-(4-ethanoylpiperazin-1-yl)phenyl] 3-(trifluoromethyloxy)benzenesulfonate

Systemtic Name: [4-(4-ethanoylpiperazin-1-yl)phenyl] 3-(trifluoromethyloxy)benzenesulfonate Openeye Name: [4-(4-acetylpiperazin-1-yl)phenyl] 3-(trifluoromethoxy)benzenesulfonate CAS Name: 3-(trifluoromethoxy)benzenesulfonic acid [4-(4-acetyl-1-piperazinyl)phenyl] ester IUPAC Name: [4-(4-acetylpiperazin-1-yl)phenyl] 3-(trifluoromethoxy)benzenesulfonate Traditional Name: 3-(trifluoromethoxy)benzenesulfonic acid [4-(4-acetylpiperazino)phenyl] ester Formula: C19H19F3N2O5S MolecularWeight: 444.42477

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)OC(F)(F)F

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)OC(F)(F)F

InChI

InChI=1S/C19H19F3N2O5S/c1-14(25)23-9-11-24(12-10-23)15-5-7-16(8-6-15)29-30(26,27)18-4-2-3-17(13-18)28-19(20,21)22/h2-8,13H,9-12H2,1H3