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

Systemtic Name: trifluoromethyl 3-[(3S)-1-methylpiperidin-3-yl]benzenesulfonate Openeye Name: trifluoromethyl 3-[(3S)-1-methyl-3-piperidyl]benzenesulfonate CAS Name: 3-[(3S)-1-methyl-3-piperidinyl]benzenesulfonic acid trifluoromethyl ester IUPAC Name: trifluoromethyl 3-[(3S)-1-methylpiperidin-3-yl]benzenesulfonate Traditional Name: 3-[(3S)-1-methyl-3-piperidyl]benzenesulfonic acid trifluoromethyl ester Formula: C13H16F3NO3S MolecularWeight: 323.33125

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC(C1)C2=CC(=CC=C2)S(=O)(=O)OC(F)(F)F

Isomeric SMILES

CN1CCC[C@H](C1)C2=CC(=CC=C2)S(=O)(=O)OC(F)(F)F

InChI

InChI=1S/C13H16F3NO3S/c1-17-7-3-5-11(9-17)10-4-2-6-12(8-10)21(18,19)20-13(14,15)16/h2,4,6,8,11H,3,5,7,9H2,1H3/t11-/m1/s1