methyl 2-fluoranyl-2-[4-[2-(hexadecylsulfonylamino)ethylsulfanyl]phenoxy]ethanoate

Systemtic Name: methyl 2-fluoranyl-2-[4-[2-(hexadecylsulfonylamino)ethylsulfanyl]phenoxy]ethanoate Openeye Name: methyl 2-fluoro-2-[4-[2-(hexadecylsulfonylamino)ethylsulfanyl]phenoxy]acetate CAS Name: 2-fluoro-2-[4-[2-(hexadecylsulfonylamino)ethylthio]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-fluoro-2-[4-[2-(hexadecylsulfonylamino)ethylsulfanyl]phenoxy]acetate Traditional Name: 2-[4-[2-(cetylsulfonylamino)ethylthio]phenoxy]-2-fluoro-acetic acid methyl ester Formula: C27H46FNO5S2 MolecularWeight: 547.786243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)NCCSC1=CC=C(C=C1)OC(C(=O)OC)F

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)NCCSC1=CC=C(C=C1)OC(C(=O)OC)F

InChI

InChI=1S/C27H46FNO5S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-36(31,32)29-21-22-35-25-19-17-24(18-20-25)34-26(28)27(30)33-2/h17-20,26,29H,3-16,21-23H2,1-2H3