[(3R)-3-(propan-2-ylamino)-3,4-dihydro-2H-chromen-5-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [(3R)-3-(propan-2-ylamino)-3,4-dihydro-2H-chromen-5-yl] tris(fluoranyl)methanesulfonate Openeye Name: [(3R)-3-(isopropylamino)chroman-5-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [(3R)-3-(propan-2-ylamino)-3,4-dihydro-2H-1-benzopyran-5-yl] ester IUPAC Name: [(3R)-3-(propan-2-ylamino)-3,4-dihydro-2H-chromen-5-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [(3R)-3-(isopropylamino)chroman-5-yl] ester Formula: C13H16F3NO4S MolecularWeight: 339.33065

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1CC2=C(C=CC=C2OS(=O)(=O)C(F)(F)F)OC1

Isomeric SMILES

CC(C)N[C@@H]1CC2=C(C=CC=C2OS(=O)(=O)C(F)(F)F)OC1

InChI

InChI=1S/C13H16F3NO4S/c1-8(2)17-9-6-10-11(20-7-9)4-3-5-12(10)21-22(18,19)13(14,15)16/h3-5,8-9,17H,6-7H2,1-2H3/t9-/m1/s1