[1-(4-fluorophenyl)sulfanyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-yl] ethanoate

Systemtic Name: [1-(4-fluorophenyl)sulfanyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-yl] ethanoate Openeye Name: [1-[(4-fluorophenyl)sulfanylmethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl] acetate CAS Name: acetic acid [1-[(4-fluorophenyl)thio]-3-[4-(2-methoxyphenyl)-1-piperazinyl]propan-2-yl] ester IUPAC Name: [1-(4-fluorophenyl)sulfanyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-yl] acetate Traditional Name: acetic acid [1-[[(4-fluorophenyl)thio]methyl]-2-[4-(2-methoxyphenyl)piperazino]ethyl] ester Formula: C22H27FN2O3S MolecularWeight: 418.524783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CN1CCN(CC1)C2=CC=CC=C2OC)CSC3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)OC(CN1CCN(CC1)C2=CC=CC=C2OC)CSC3=CC=C(C=C3)F

InChI

InChI=1S/C22H27FN2O3S/c1-17(26)28-19(16-29-20-9-7-18(23)8-10-20)15-24-11-13-25(14-12-24)21-5-3-4-6-22(21)27-2/h3-10,19H,11-16H2,1-2H3