phenyl 2-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethanesulfonate

Systemtic Name: phenyl 2-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethanesulfonate Openeye Name: phenyl 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]ethanesulfonate CAS Name: 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethanesulfonate Traditional Name: 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazino]ethanesulfonic acid phenyl ester Formula: C18H19ClF3N3O3S MolecularWeight: 449.87497

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCS(=O)(=O)OC2=CC=CC=C2)C3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCN1CCS(=O)(=O)OC2=CC=CC=C2)C3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C18H19ClF3N3O3S/c19-16-12-14(18(20,21)22)13-23-17(16)25-8-6-24(7-9-25)10-11-29(26,27)28-15-4-2-1-3-5-15/h1-5,12-13H,6-11H2