[2-oxidanylidene-2-[3-(trifluoromethyl)phenyl]ethyl] 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-[3-(trifluoromethyl)phenyl]ethyl] 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate Openeye Name: [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]benzoic acid [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-acetylpiperazino)sulfonylbenzoic acid [2-keto-2-[3-(trifluoromethyl)phenyl]ethyl] ester Formula: C22H21F3N2O6S MolecularWeight: 498.47215

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C22H21F3N2O6S/c1-15(28)26-8-10-27(11-9-26)34(31,32)19-7-3-5-17(13-19)21(30)33-14-20(29)16-4-2-6-18(12-16)22(23,24)25/h2-7,12-13H,8-11,14H2,1H3