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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CCC(C(C1)C)(C)C2=CC=CC=C2OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CCCCCC(=O)N1CCC(C(C1)C)(C)C2=CC=CC=C2OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C20H28F3NO4S/c1-4-5-6-11-18(25)24-13-12-19(3,15(2)14-24)16-9-7-8-10-17(16)28-29(26,27)20(21,22)23/h7-10,15H,4-6,11-14H2,1-3H3