2-[4-[2-chloranyl-6-fluoranyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenoxy]piperidin-1-yl]-5-ethyl-pyrimidine

Systemtic Name: 2-[4-[2-chloranyl-6-fluoranyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenoxy]piperidin-1-yl]-5-ethyl-pyrimidine Openeye Name: 2-[4-[2-chloro-6-fluoro-4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenoxy]-1-piperidyl]-5-ethyl-pyrimidine CAS Name: 2-[4-[2-chloro-6-fluoro-4-[(4-methylsulfonyl-1-piperazinyl)methyl]phenoxy]-1-piperidinyl]-5-ethylpyrimidine IUPAC Name: 2-[4-[2-chloro-6-fluoro-4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenoxy]piperidin-1-yl]-5-ethylpyrimidine Traditional Name: 2-[4-[2-chloro-6-fluoro-4-[(4-mesylpiperazino)methyl]phenoxy]piperidino]-5-ethyl-pyrimidine Formula: C23H31ClFN5O3S MolecularWeight: 512.040343

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(N=C1)N2CCC(CC2)OC3=C(C=C(C=C3Cl)CN4CCN(CC4)S(=O)(=O)C)F

Isomeric SMILES

CCC1=CN=C(N=C1)N2CCC(CC2)OC3=C(C=C(C=C3Cl)CN4CCN(CC4)S(=O)(=O)C)F

InChI

InChI=1S/C23H31ClFN5O3S/c1-3-17-14-26-23(27-15-17)29-6-4-19(5-7-29)33-22-20(24)12-18(13-21(22)25)16-28-8-10-30(11-9-28)34(2,31)32/h12-15,19H,3-11,16H2,1-2H3