ethyl 2-(2-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylsulfanylpiperidin-1-yl]ethanoate

Systemtic Name: ethyl 2-(2-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylsulfanylpiperidin-1-yl]ethanoate Openeye Name: ethyl 2-(2-fluorophenyl)-2-[4-(p-tolylsulfonylsulfanyl)-1-piperidyl]acetate CAS Name: 2-(2-fluorophenyl)-2-[4-[(4-methylphenyl)sulfonylthio]-1-piperidinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-(2-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylsulfanylpiperidin-1-yl]acetate Traditional Name: 2-(2-fluorophenyl)-2-[4-(tosylthio)piperidino]acetic acid ethyl ester Formula: C22H26FNO4S2 MolecularWeight: 451.574543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1F)N2CCC(CC2)SS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C(C1=CC=CC=C1F)N2CCC(CC2)SS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H26FNO4S2/c1-3-28-22(25)21(19-6-4-5-7-20(19)23)24-14-12-17(13-15-24)29-30(26,27)18-10-8-16(2)9-11-18/h4-11,17,21H,3,12-15H2,1-2H3