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

Systemtic Name: trifluoromethyl 3-[(3S)-1-propylpiperidin-3-yl]benzenesulfonate Openeye Name: trifluoromethyl 3-[(3S)-1-propyl-3-piperidyl]benzenesulfonate CAS Name: 3-[(3S)-1-propyl-3-piperidinyl]benzenesulfonic acid trifluoromethyl ester IUPAC Name: trifluoromethyl 3-[(3S)-1-propylpiperidin-3-yl]benzenesulfonate Traditional Name: 3-[(3S)-1-propyl-3-piperidyl]benzenesulfonic acid trifluoromethyl ester Formula: C15H20F3NO3S MolecularWeight: 351.38441

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCCC(C1)C2=CC(=CC=C2)S(=O)(=O)OC(F)(F)F

Isomeric SMILES

CCCN1CCC[C@H](C1)C2=CC(=CC=C2)S(=O)(=O)OC(F)(F)F

InChI

InChI=1S/C15H20F3NO3S/c1-2-8-19-9-4-6-13(11-19)12-5-3-7-14(10-12)23(20,21)22-15(16,17)18/h3,5,7,10,13H,2,4,6,8-9,11H2,1H3/t13-/m1/s1