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

Systemtic Name: methyl 2-[4-[2-(octylsulfonylamino)ethylsulfanyl]phenyl]ethanoate Openeye Name: methyl 2-[4-[2-(octylsulfonylamino)ethylsulfanyl]phenyl]acetate CAS Name: 2-[4-[2-(octylsulfonylamino)ethylthio]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[2-(octylsulfonylamino)ethylsulfanyl]phenyl]acetate Traditional Name: 2-[4-[2-(octylsulfonylamino)ethylthio]phenyl]acetic acid methyl ester Formula: C19H31NO4S2 MolecularWeight: 401.58374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31NO4S2/c1-3-4-5-6-7-8-15-26(22,23)20-13-14-25-18-11-9-17(10-12-18)16-19(21)24-2/h9-12,20H,3-8,13-16H2,1-2H3