trifluoromethyl 3-[(3S)-1-ethylpiperidin-3-yl]benzenesulfonate

Systemtic Name: trifluoromethyl 3-[(3S)-1-ethylpiperidin-3-yl]benzenesulfonate Openeye Name: trifluoromethyl 3-[(3S)-1-ethyl-3-piperidyl]benzenesulfonate CAS Name: 3-[(3S)-1-ethyl-3-piperidinyl]benzenesulfonic acid trifluoromethyl ester IUPAC Name: trifluoromethyl 3-[(3S)-1-ethylpiperidin-3-yl]benzenesulfonate Traditional Name: 3-[(3S)-1-ethyl-3-piperidyl]benzenesulfonic acid trifluoromethyl ester Formula: C14H18F3NO3S MolecularWeight: 337.35783

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC(C1)C2=CC(=CC=C2)S(=O)(=O)OC(F)(F)F

Isomeric SMILES

CCN1CCC[C@H](C1)C2=CC(=CC=C2)S(=O)(=O)OC(F)(F)F

InChI

InChI=1S/C14H18F3NO3S/c1-2-18-8-4-6-12(10-18)11-5-3-7-13(9-11)22(19,20)21-14(15,16)17/h3,5,7,9,12H,2,4,6,8,10H2,1H3/t12-/m1/s1