methyl 2-(2-chlorophenyl)-2-[4-(phenylsulfonylsulfanyl)piperidin-1-yl]ethanoate

Systemtic Name: methyl 2-(2-chlorophenyl)-2-[4-(phenylsulfonylsulfanyl)piperidin-1-yl]ethanoate Openeye Name: methyl 2-[4-(benzenesulfonylsulfanyl)-1-piperidyl]-2-(2-chlorophenyl)acetate CAS Name: 2-[4-(benzenesulfonylthio)-1-piperidinyl]-2-(2-chlorophenyl)acetic acid methyl ester IUPAC Name: methyl 2-[4-(benzenesulfonylsulfanyl)piperidin-1-yl]-2-(2-chlorophenyl)acetate Traditional Name: 2-[4-(besylthio)piperidino]-2-(2-chlorophenyl)acetic acid methyl ester Formula: C20H22ClNO4S2 MolecularWeight: 439.97598

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1Cl)N2CCC(CC2)SS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(C1=CC=CC=C1Cl)N2CCC(CC2)SS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H22ClNO4S2/c1-26-20(23)19(17-9-5-6-10-18(17)21)22-13-11-15(12-14-22)27-28(24,25)16-7-3-2-4-8-16/h2-10,15,19H,11-14H2,1H3