[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2-[4-(trifluoromethyl)phenyl]benzoate

Systemtic Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2-[4-(trifluoromethyl)phenyl]benzoate Openeye Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl] 2-[4-(trifluoromethyl)phenyl]benzoate CAS Name: 2-[4-(trifluoromethyl)phenyl]benzoic acid [2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]benzoate Traditional Name: 2-[4-(trifluoromethyl)phenyl]benzoic acid [2-keto-2-(4-mesylpiperazino)ethyl] ester Formula: C21H21F3N2O5S MolecularWeight: 470.46205

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)COC(=O)C2=CC=CC=C2C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)COC(=O)C2=CC=CC=C2C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H21F3N2O5S/c1-32(29,30)26-12-10-25(11-13-26)19(27)14-31-20(28)18-5-3-2-4-17(18)15-6-8-16(9-7-15)21(22,23)24/h2-9H,10-14H2,1H3