5-fluoranyl-2-[4-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenoxy]piperidin-1-yl]pyrimidine

Systemtic Name: 5-fluoranyl-2-[4-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenoxy]piperidin-1-yl]pyrimidine Openeye Name: 5-fluoro-2-[4-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenoxy]-1-piperidyl]pyrimidine CAS Name: 5-fluoro-2-[4-[4-[(4-methylsulfonyl-1-piperazinyl)methyl]phenoxy]-1-piperidinyl]pyrimidine IUPAC Name: 5-fluoro-2-[4-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenoxy]piperidin-1-yl]pyrimidine Traditional Name: 5-fluoro-2-[4-[4-[(4-mesylpiperazino)methyl]phenoxy]piperidino]pyrimidine Formula: C21H28FN5O3S MolecularWeight: 449.542123

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)CC2=CC=C(C=C2)OC3CCN(CC3)C4=NC=C(C=N4)F

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)CC2=CC=C(C=C2)OC3CCN(CC3)C4=NC=C(C=N4)F

InChI

InChI=1S/C21H28FN5O3S/c1-31(28,29)27-12-10-25(11-13-27)16-17-2-4-19(5-3-17)30-20-6-8-26(9-7-20)21-23-14-18(22)15-24-21/h2-5,14-15,20H,6-13,16H2,1H3