[(2R)-1-[6-azanyl-2,3-bis(fluoranyl)phenoxy]propan-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [(2R)-1-[6-azanyl-2,3-bis(fluoranyl)phenoxy]propan-2-yl] 4-methylbenzenesulfonate Openeye Name: [(1R)-2-(6-amino-2,3-difluoro-phenoxy)-1-methyl-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R)-1-(6-amino-2,3-difluorophenoxy)propan-2-yl] ester IUPAC Name: [(2R)-1-(6-amino-2,3-difluorophenoxy)propan-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1R)-2-(6-amino-2,3-difluoro-phenoxy)-1-methyl-ethyl] ester Formula: C16H17F2NO4S MolecularWeight: 357.372286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C)COC2=C(C=CC(=C2F)F)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@H](C)COC2=C(C=CC(=C2F)F)N

InChI

InChI=1S/C16H17F2NO4S/c1-10-3-5-12(6-4-10)24(20,21)23-11(2)9-22-16-14(19)8-7-13(17)15(16)18/h3-8,11H,9,19H2,1-2H3/t11-/m1/s1