methyl 2-(2-fluorophenyl)-2-(4-hexadecanoylsulfanylpiperidin-1-yl)ethanoate

Systemtic Name: methyl 2-(2-fluorophenyl)-2-(4-hexadecanoylsulfanylpiperidin-1-yl)ethanoate Openeye Name: methyl 2-(2-fluorophenyl)-2-(4-hexadecanoylsulfanyl-1-piperidyl)acetate CAS Name: 2-(2-fluorophenyl)-2-[4-(1-oxohexadecylthio)-1-piperidinyl]acetic acid methyl ester IUPAC Name: methyl 2-(2-fluorophenyl)-2-(4-hexadecanoylsulfanylpiperidin-1-yl)acetate Traditional Name: 2-(2-fluorophenyl)-2-[4-(hexadecanoylthio)piperidino]acetic acid methyl ester Formula: C30H48FNO3S MolecularWeight: 521.770423

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)SC1CCN(CC1)C(C2=CC=CC=C2F)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)SC1CCN(CC1)C(C2=CC=CC=C2F)C(=O)OC

InChI

InChI=1S/C30H48FNO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-28(33)36-25-21-23-32(24-22-25)29(30(34)35-2)26-18-16-17-19-27(26)31/h16-19,25,29H,3-15,20-24H2,1-2H3