5-fluoranyl-2-[4-[2-[4-(4-methylsulfonylphenyl)piperazin-1-yl]ethyl]piperidin-1-yl]pyrimidine

Systemtic Name: 5-fluoranyl-2-[4-[2-[4-(4-methylsulfonylphenyl)piperazin-1-yl]ethyl]piperidin-1-yl]pyrimidine Openeye Name: 5-fluoro-2-[4-[2-[4-(4-methylsulfonylphenyl)piperazin-1-yl]ethyl]-1-piperidyl]pyrimidine CAS Name: 5-fluoro-2-[4-[2-[4-(4-methylsulfonylphenyl)-1-piperazinyl]ethyl]-1-piperidinyl]pyrimidine IUPAC Name: 5-fluoro-2-[4-[2-[4-(4-methylsulfonylphenyl)piperazin-1-yl]ethyl]piperidin-1-yl]pyrimidine Traditional Name: 5-fluoro-2-[4-[2-[4-(4-mesylphenyl)piperazino]ethyl]piperidino]pyrimidine Formula: C22H30FN5O2S MolecularWeight: 447.569303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)N2CCN(CC2)CCC3CCN(CC3)C4=NC=C(C=N4)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2CCN(CC2)CCC3CCN(CC3)C4=NC=C(C=N4)F

InChI

InChI=1S/C22H30FN5O2S/c1-31(29,30)21-4-2-20(3-5-21)27-14-12-26(13-15-27)9-6-18-7-10-28(11-8-18)22-24-16-19(23)17-25-22/h2-5,16-18H,6-15H2,1H3