[3-[1-[(E)-hex-1-enyl]piperidin-4-yl]carbonylphenyl] 2,3,4,5,6-pentakis(fluoranyl)benzenesulfonate

Systemtic Name: [3-[1-[(E)-hex-1-enyl]piperidin-4-yl]carbonylphenyl] 2,3,4,5,6-pentakis(fluoranyl)benzenesulfonate Openeye Name: [3-[1-[(E)-hex-1-enyl]piperidine-4-carbonyl]phenyl] 2,3,4,5,6-pentafluorobenzenesulfonate CAS Name: 2,3,4,5,6-pentafluorobenzenesulfonic acid [3-[[1-[(E)-hex-1-enyl]-4-piperidinyl]-oxomethyl]phenyl] ester IUPAC Name: [3-[1-[(E)-hex-1-enyl]piperidine-4-carbonyl]phenyl] 2,3,4,5,6-pentafluorobenzenesulfonate Traditional Name: 2,3,4,5,6-pentafluorobenzenesulfonic acid [3-[1-[(E)-hex-1-enyl]isonipecotoyl]phenyl] ester Formula: C24H24F5NO4S MolecularWeight: 517.508676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=CN1CCC(CC1)C(=O)C2=CC(=CC=C2)OS(=O)(=O)C3=C(C(=C(C(=C3F)F)F)F)F

Isomeric SMILES

CCCC/C=C/N1CCC(CC1)C(=O)C2=CC(=CC=C2)OS(=O)(=O)C3=C(C(=C(C(=C3F)F)F)F)F

InChI

InChI=1S/C24H24F5NO4S/c1-2-3-4-5-11-30-12-9-15(10-13-30)23(31)16-7-6-8-17(14-16)34-35(32,33)24-21(28)19(26)18(25)20(27)22(24)29/h5-8,11,14-15H,2-4,9-10,12-13H2,1H3/b11-5+