methyl 2-(2-fluorophenyl)-2-[4-(phenylcarbonylsulfanyl)piperidin-1-yl]ethanoate

Systemtic Name: methyl 2-(2-fluorophenyl)-2-[4-(phenylcarbonylsulfanyl)piperidin-1-yl]ethanoate Openeye Name: methyl 2-(4-benzoylsulfanyl-1-piperidyl)-2-(2-fluorophenyl)acetate CAS Name: 2-[4-(benzoylthio)-1-piperidinyl]-2-(2-fluorophenyl)acetic acid methyl ester IUPAC Name: methyl 2-(4-benzoylsulfanylpiperidin-1-yl)-2-(2-fluorophenyl)acetate Traditional Name: 2-[4-(benzoylthio)piperidino]-2-(2-fluorophenyl)acetic acid methyl ester Formula: C21H22FNO3S MolecularWeight: 387.467683

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1F)N2CCC(CC2)SC(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(C1=CC=CC=C1F)N2CCC(CC2)SC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22FNO3S/c1-26-20(24)19(17-9-5-6-10-18(17)22)23-13-11-16(12-14-23)27-21(25)15-7-3-2-4-8-15/h2-10,16,19H,11-14H2,1H3