ethyl 2-[2-fluoranyl-4-[2-(octylsulfonylamino)ethylsulfanyl]phenoxy]ethanoate

Systemtic Name: ethyl 2-[2-fluoranyl-4-[2-(octylsulfonylamino)ethylsulfanyl]phenoxy]ethanoate Openeye Name: ethyl 2-[2-fluoro-4-[2-(octylsulfonylamino)ethylsulfanyl]phenoxy]acetate CAS Name: 2-[2-fluoro-4-[2-(octylsulfonylamino)ethylthio]phenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-fluoro-4-[2-(octylsulfonylamino)ethylsulfanyl]phenoxy]acetate Traditional Name: 2-[2-fluoro-4-[2-(octylsulfonylamino)ethylthio]phenoxy]acetic acid ethyl ester Formula: C20H32FNO5S2 MolecularWeight: 449.600183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)NCCSC1=CC(=C(C=C1)OCC(=O)OCC)F

Isomeric SMILES

CCCCCCCCS(=O)(=O)NCCSC1=CC(=C(C=C1)OCC(=O)OCC)F

InChI

InChI=1S/C20H32FNO5S2/c1-3-5-6-7-8-9-14-29(24,25)22-12-13-28-17-10-11-19(18(21)15-17)27-16-20(23)26-4-2/h10-11,15,22H,3-9,12-14,16H2,1-2H3