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

Systemtic Name: methyl 2-(2-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylsulfanylpiperidin-1-yl]ethanoate Openeye Name: methyl 2-(2-fluorophenyl)-2-[4-(p-tolylsulfonylsulfanyl)-1-piperidyl]acetate CAS Name: 2-(2-fluorophenyl)-2-[4-[(4-methylphenyl)sulfonylthio]-1-piperidinyl]acetic acid methyl ester IUPAC Name: methyl 2-(2-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylsulfanylpiperidin-1-yl]acetate Traditional Name: 2-(2-fluorophenyl)-2-[4-(tosylthio)piperidino]acetic acid methyl ester Formula: C21H24FNO4S2 MolecularWeight: 437.547963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)SC2CCN(CC2)C(C3=CC=CC=C3F)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)SC2CCN(CC2)C(C3=CC=CC=C3F)C(=O)OC

InChI

InChI=1S/C21H24FNO4S2/c1-15-7-9-17(10-8-15)29(25,26)28-16-11-13-23(14-12-16)20(21(24)27-2)18-5-3-4-6-19(18)22/h3-10,16,20H,11-14H2,1-2H3