1-(4-fluorophenyl)-4-[4-[2-(4-methylsulfonylphenoxy)ethyl]piperazin-1-yl]butan-1-one

Systemtic Name: 1-(4-fluorophenyl)-4-[4-[2-(4-methylsulfonylphenoxy)ethyl]piperazin-1-yl]butan-1-one Openeye Name: 1-(4-fluorophenyl)-4-[4-[2-(4-methylsulfonylphenoxy)ethyl]piperazin-1-yl]butan-1-one CAS Name: 1-(4-fluorophenyl)-4-[4-[2-(4-methylsulfonylphenoxy)ethyl]-1-piperazinyl]-1-butanone IUPAC Name: 1-(4-fluorophenyl)-4-[4-[2-(4-methylsulfonylphenoxy)ethyl]piperazin-1-yl]butan-1-one Traditional Name: 1-(4-fluorophenyl)-4-[4-[2-(4-mesylphenoxy)ethyl]piperazino]butan-1-one Formula: C23H29FN2O4S MolecularWeight: 448.550763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)OCCN2CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)OCCN2CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H29FN2O4S/c1-31(28,29)22-10-8-21(9-11-22)30-18-17-26-15-13-25(14-16-26)12-2-3-23(27)19-4-6-20(24)7-5-19/h4-11H,2-3,12-18H2,1H3