[(2S)-1-(4-methylphenyl)sulfonyl-2-prop-2-enyl-3,4-dihydro-2H-pyridin-6-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [(2S)-1-(4-methylphenyl)sulfonyl-2-prop-2-enyl-3,4-dihydro-2H-pyridin-6-yl] tris(fluoranyl)methanesulfonate Openeye Name: [(2S)-2-allyl-1-(p-tolylsulfonyl)-3,4-dihydro-2H-pyridin-6-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [(2S)-1-(4-methylphenyl)sulfonyl-2-prop-2-enyl-3,4-dihydro-2H-pyridin-6-yl] ester IUPAC Name: [(2S)-1-(4-methylphenyl)sulfonyl-2-prop-2-enyl-3,4-dihydro-2H-pyridin-6-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [(2S)-2-allyl-1-tosyl-3,4-dihydro-2H-pyridin-6-yl] ester Formula: C16H18F3NO5S2 MolecularWeight: 425.44303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC=C2OS(=O)(=O)C(F)(F)F)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H](CCC=C2OS(=O)(=O)C(F)(F)F)CC=C

InChI

InChI=1S/C16H18F3NO5S2/c1-3-5-13-6-4-7-15(25-27(23,24)16(17,18)19)20(13)26(21,22)14-10-8-12(2)9-11-14/h3,7-11,13H,1,4-6H2,2H3/t13-/m1/s1