5-ethyl-2-[4-[4-[(2-fluoranyl-4-methylsulfonyl-phenoxy)methyl]phenyl]piperidin-1-yl]pyrimidine

Systemtic Name: 5-ethyl-2-[4-[4-[(2-fluoranyl-4-methylsulfonyl-phenoxy)methyl]phenyl]piperidin-1-yl]pyrimidine Openeye Name: 5-ethyl-2-[4-[4-[(2-fluoro-4-methylsulfonyl-phenoxy)methyl]phenyl]-1-piperidyl]pyrimidine CAS Name: 5-ethyl-2-[4-[4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]phenyl]-1-piperidinyl]pyrimidine IUPAC Name: 5-ethyl-2-[4-[4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]phenyl]piperidin-1-yl]pyrimidine Traditional Name: 5-ethyl-2-[4-[4-[(2-fluoro-4-mesyl-phenoxy)methyl]phenyl]piperidino]pyrimidine Formula: C25H28FN3O3S MolecularWeight: 469.571523

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(N=C1)N2CCC(CC2)C3=CC=C(C=C3)COC4=C(C=C(C=C4)S(=O)(=O)C)F

Isomeric SMILES

CCC1=CN=C(N=C1)N2CCC(CC2)C3=CC=C(C=C3)COC4=C(C=C(C=C4)S(=O)(=O)C)F

InChI

InChI=1S/C25H28FN3O3S/c1-3-18-15-27-25(28-16-18)29-12-10-21(11-13-29)20-6-4-19(5-7-20)17-32-24-9-8-22(14-23(24)26)33(2,30)31/h4-9,14-16,21H,3,10-13,17H2,1-2H3