[(3R)-3-[cyclobutyl(propyl)amino]-8-fluoranyl-3,4-dihydro-2H-chromen-5-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [(3R)-3-[cyclobutyl(propyl)amino]-8-fluoranyl-3,4-dihydro-2H-chromen-5-yl] tris(fluoranyl)methanesulfonate Openeye Name: [(3R)-3-[cyclobutyl(propyl)amino]-8-fluoro-chroman-5-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [(3R)-3-[cyclobutyl(propyl)amino]-8-fluoro-3,4-dihydro-2H-1-benzopyran-5-yl] ester IUPAC Name: [(3R)-3-[cyclobutyl(propyl)amino]-8-fluoro-3,4-dihydro-2H-chromen-5-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [(3R)-3-[cyclobutyl(propyl)amino]-8-fluoro-chroman-5-yl] ester Formula: C17H21F4NO4S MolecularWeight: 411.411553

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1CCC1)C2CC3=C(C=CC(=C3OC2)F)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CCCN([C@@H]1CC2=C(C=CC(=C2OC1)F)OS(=O)(=O)C(F)(F)F)C3CCC3

InChI

InChI=1S/C17H21F4NO4S/c1-2-8-22(11-4-3-5-11)12-9-13-15(26-27(23,24)17(19,20)21)7-6-14(18)16(13)25-10-12/h6-7,11-12H,2-5,8-10H2,1H3/t12-/m1/s1