ethyl 4-[4-[3-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[3-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[oxo-[3-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[3-(trifluoromethyl)benzoyl]piperazino]sulfonylbenzoic acid ethyl ester Formula: C21H21F3N2O5S MolecularWeight: 470.46205

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C21H21F3N2O5S/c1-2-31-20(28)15-6-8-18(9-7-15)32(29,30)26-12-10-25(11-13-26)19(27)16-4-3-5-17(14-16)21(22,23)24/h3-9,14H,2,10-13H2,1H3