phenyl 2-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]ethanesulfonate

Systemtic Name: phenyl 2-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]ethanesulfonate Openeye Name: phenyl 2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanesulfonate CAS Name: 2-[4-[oxo-[2-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanesulfonate Traditional Name: 2-[4-[2-(trifluoromethyl)benzoyl]piperazino]ethanesulfonic acid phenyl ester Formula: C20H21F3N2O4S MolecularWeight: 442.45195

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCS(=O)(=O)OC2=CC=CC=C2)C(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1CN(CCN1CCS(=O)(=O)OC2=CC=CC=C2)C(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C20H21F3N2O4S/c21-20(22,23)18-9-5-4-8-17(18)19(26)25-12-10-24(11-13-25)14-15-30(27,28)29-16-6-2-1-3-7-16/h1-9H,10-15H2