[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 4-(trifluoromethyloxy)benzoate

Systemtic Name: [2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 4-(trifluoromethyloxy)benzoate Openeye Name: [2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl] 4-(trifluoromethoxy)benzoate CAS Name: 4-(trifluoromethoxy)benzoic acid [2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 4-(trifluoromethoxy)benzoate Traditional Name: 4-(trifluoromethoxy)benzoic acid [2-keto-2-(4-tosylpiperazino)ethyl] ester Formula: C21H21F3N2O6S MolecularWeight: 486.46145

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)C3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)C3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C21H21F3N2O6S/c1-15-2-8-18(9-3-15)33(29,30)26-12-10-25(11-13-26)19(27)14-31-20(28)16-4-6-17(7-5-16)32-21(22,23)24/h2-9H,10-14H2,1H3