[3-(1-hex-1-ynylpiperidin-4-yl)carbonylphenyl] 2-(trifluoromethyl)benzenesulfonate

Systemtic Name: [3-(1-hex-1-ynylpiperidin-4-yl)carbonylphenyl] 2-(trifluoromethyl)benzenesulfonate Openeye Name: [3-(1-hex-1-ynylpiperidine-4-carbonyl)phenyl] 2-(trifluoromethyl)benzenesulfonate CAS Name: 2-(trifluoromethyl)benzenesulfonic acid [3-[(1-hex-1-ynyl-4-piperidinyl)-oxomethyl]phenyl] ester IUPAC Name: [3-(1-hex-1-ynylpiperidine-4-carbonyl)phenyl] 2-(trifluoromethyl)benzenesulfonate Traditional Name: 2-(trifluoromethyl)benzenesulfonic acid [3-(1-hex-1-ynylisonipecotoyl)phenyl] ester Formula: C25H26F3NO4S MolecularWeight: 493.53845

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CN1CCC(CC1)C(=O)C2=CC(=CC=C2)OS(=O)(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CCCCC#CN1CCC(CC1)C(=O)C2=CC(=CC=C2)OS(=O)(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C25H26F3NO4S/c1-2-3-4-7-15-29-16-13-19(14-17-29)24(30)20-9-8-10-21(18-20)33-34(31,32)23-12-6-5-11-22(23)25(26,27)28/h5-6,8-12,18-19H,2-4,13-14,16-17H2,1H3