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

Systemtic Name: [2-ethoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrol-5-yl] tris(fluoranyl)methanesulfonate Openeye Name: [2-ethoxy-1-(p-tolylsulfonyl)-2,3-dihydropyrrol-5-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [2-ethoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrol-5-yl] ester IUPAC Name: [2-ethoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrol-5-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid (5-ethoxy-1-tosyl-2-pyrrolin-2-yl) ester Formula: C14H16F3NO6S2 MolecularWeight: 415.40515

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CC=C(N1S(=O)(=O)C2=CC=C(C=C2)C)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CCOC1CC=C(N1S(=O)(=O)C2=CC=C(C=C2)C)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C14H16F3NO6S2/c1-3-23-12-8-9-13(24-26(21,22)14(15,16)17)18(12)25(19,20)11-6-4-10(2)5-7-11/h4-7,9,12H,3,8H2,1-2H3