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

Systemtic Name: trifluoromethyl 3-[(3S)-1-butylpiperidin-3-yl]benzenesulfonate Openeye Name: trifluoromethyl 3-[(3S)-1-butyl-3-piperidyl]benzenesulfonate CAS Name: 3-[(3S)-1-butyl-3-piperidinyl]benzenesulfonic acid trifluoromethyl ester IUPAC Name: trifluoromethyl 3-[(3S)-1-butylpiperidin-3-yl]benzenesulfonate Traditional Name: 3-[(3S)-1-butyl-3-piperidyl]benzenesulfonic acid trifluoromethyl ester Formula: C16H22F3NO3S MolecularWeight: 365.41099

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCCC(C1)C2=CC(=CC=C2)S(=O)(=O)OC(F)(F)F

Isomeric SMILES

CCCCN1CCC[C@H](C1)C2=CC(=CC=C2)S(=O)(=O)OC(F)(F)F

InChI

InChI=1S/C16H22F3NO3S/c1-2-3-9-20-10-5-7-14(12-20)13-6-4-8-15(11-13)24(21,22)23-16(17,18)19/h4,6,8,11,14H,2-3,5,7,9-10,12H2,1H3/t14-/m1/s1