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

Systemtic Name: [3-(trifluoromethyl)phenyl]methyl 4-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate Openeye Name: [3-(trifluoromethyl)phenyl]methyl 4-(4-acetylpiperazin-1-yl)sulfonylbenzoate CAS Name: 4-[(4-acetyl-1-piperazinyl)sulfonyl]benzoic acid [3-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3-(trifluoromethyl)phenyl]methyl 4-(4-acetylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 4-(4-acetylpiperazino)sulfonylbenzoic acid [3-(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=C(C=C2)C(=O)OCC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC(=CC=C3)C(F)(F)F

InChI

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