methyl 2-[4-[2-(hexadecylsulfonylamino)ethylsulfanyl]phenyl]ethanoate

Systemtic Name: methyl 2-[4-[2-(hexadecylsulfonylamino)ethylsulfanyl]phenyl]ethanoate Openeye Name: methyl 2-[4-[2-(hexadecylsulfonylamino)ethylsulfanyl]phenyl]acetate CAS Name: 2-[4-[2-(hexadecylsulfonylamino)ethylthio]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[2-(hexadecylsulfonylamino)ethylsulfanyl]phenyl]acetate Traditional Name: 2-[4-[2-(cetylsulfonylamino)ethylthio]phenyl]acetic acid methyl ester Formula: C27H47NO4S2 MolecularWeight: 513.79638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H47NO4S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-34(30,31)28-21-22-33-26-19-17-25(18-20-26)24-27(29)32-2/h17-20,28H,3-16,21-24H2,1-2H3