[4-(1-hexanoyl-3,4-dimethyl-piperidin-2-yl)phenyl] tris(fluoranyl)methanesulfonate

Systemtic Name: [4-(1-hexanoyl-3,4-dimethyl-piperidin-2-yl)phenyl] tris(fluoranyl)methanesulfonate Openeye Name: [4-(1-hexanoyl-3,4-dimethyl-2-piperidyl)phenyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [4-[3,4-dimethyl-1-(1-oxohexyl)-2-piperidinyl]phenyl] ester IUPAC Name: [4-(1-hexanoyl-3,4-dimethylpiperidin-2-yl)phenyl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [4-(1-caproyl-3,4-dimethyl-2-piperidyl)phenyl] ester Formula: C20H28F3NO4S MolecularWeight: 435.50083

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CCC(C(C1C2=CC=C(C=C2)OS(=O)(=O)C(F)(F)F)C)C

Isomeric SMILES

CCCCCC(=O)N1CCC(C(C1C2=CC=C(C=C2)OS(=O)(=O)C(F)(F)F)C)C

InChI

InChI=1S/C20H28F3NO4S/c1-4-5-6-7-18(25)24-13-12-14(2)15(3)19(24)16-8-10-17(11-9-16)28-29(26,27)20(21,22)23/h8-11,14-15,19H,4-7,12-13H2,1-3H3