[(2R)-2-but-3-enyl-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrol-5-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [(2R)-2-but-3-enyl-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrol-5-yl] tris(fluoranyl)methanesulfonate Openeye Name: [(2R)-2-but-3-enyl-1-(p-tolylsulfonyl)-2,3-dihydropyrrol-5-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [(2R)-2-but-3-enyl-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrol-5-yl] ester IUPAC Name: [(2R)-2-but-3-enyl-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrol-5-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [(5R)-5-but-3-enyl-1-tosyl-2-pyrrolin-2-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(CC=C2OS(=O)(=O)C(F)(F)F)CCC=C

Isomeric SMILES

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

InChI

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