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

Systemtic Name: [2-(trifluoromethyl)phenyl]methyl 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate Openeye Name: [2-(trifluoromethyl)phenyl]methyl 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]benzoic acid [2-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [2-(trifluoromethyl)phenyl]methyl 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-acetylpiperazino)sulfonylbenzoic acid [2-(trifluoromethyl)benzyl] ester Formula: C21H21F3N2O5S MolecularWeight: 470.46205

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=CC=CC=C3C(F)(F)F

InChI

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