[1-(2-azanylphenoxy)-2,3-bis(fluoranyl)propan-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [1-(2-azanylphenoxy)-2,3-bis(fluoranyl)propan-2-yl] 4-methylbenzenesulfonate Openeye Name: [1-[(2-aminophenoxy)methyl]-1,2-difluoro-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-(2-aminophenoxy)-2,3-difluoropropan-2-yl] ester IUPAC Name: [1-(2-aminophenoxy)-2,3-difluoropropan-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-[(2-aminophenoxy)methyl]-1,2-difluoro-ethyl] ester Formula: C16H17F2NO4S MolecularWeight: 357.372286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(COC2=CC=CC=C2N)(CF)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(COC2=CC=CC=C2N)(CF)F

InChI

InChI=1S/C16H17F2NO4S/c1-12-6-8-13(9-7-12)24(20,21)23-16(18,10-17)11-22-15-5-3-2-4-14(15)19/h2-9H,10-11,19H2,1H3