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

Systemtic Name: methyl 2-[2-fluoranyl-4-[2-(hexadecylsulfonylamino)ethylsulfanyl]phenoxy]ethanoate Openeye Name: methyl 2-[2-fluoro-4-[2-(hexadecylsulfonylamino)ethylsulfanyl]phenoxy]acetate CAS Name: 2-[2-fluoro-4-[2-(hexadecylsulfonylamino)ethylthio]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[2-fluoro-4-[2-(hexadecylsulfonylamino)ethylsulfanyl]phenoxy]acetate Traditional Name: 2-[4-[2-(cetylsulfonylamino)ethylthio]-2-fluoro-phenoxy]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)OCC(=O)OC)F

Isomeric SMILES

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

InChI

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