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

Systemtic Name: 2-[6-azanyl-2,3-bis(fluoranyl)phenoxy]propan-2-yl 4-methylbenzenesulfonate Openeye Name: [1-(6-amino-2,3-difluoro-phenoxy)-1-methyl-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-(6-amino-2,3-difluorophenoxy)propan-2-yl ester IUPAC Name: 2-(6-amino-2,3-difluorophenoxy)propan-2-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-(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)(C)OC2=C(C=CC(=C2F)F)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C)(C)OC2=C(C=CC(=C2F)F)N

InChI

InChI=1S/C16H17F2NO4S/c1-10-4-6-11(7-5-10)24(20,21)23-16(2,3)22-15-13(19)9-8-12(17)14(15)18/h4-9H,19H2,1-3H3