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

Systemtic Name: 5-bromanyl-2-[4-[[4-(2-fluoranyl-4-methylsulfonyl-phenyl)phenoxy]methyl]piperidin-1-yl]pyrimidine Openeye Name: 5-bromo-2-[4-[[4-(2-fluoro-4-methylsulfonyl-phenyl)phenoxy]methyl]-1-piperidyl]pyrimidine CAS Name: 5-bromo-2-[4-[[4-(2-fluoro-4-methylsulfonylphenyl)phenoxy]methyl]-1-piperidinyl]pyrimidine IUPAC Name: 5-bromo-2-[4-[[4-(2-fluoro-4-methylsulfonylphenyl)phenoxy]methyl]piperidin-1-yl]pyrimidine Traditional Name: 5-bromo-2-[4-[[4-(2-fluoro-4-mesyl-phenyl)phenoxy]methyl]piperidino]pyrimidine Formula: C23H23BrFN3O3S MolecularWeight: 520.414423

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)C2=CC=C(C=C2)OCC3CCN(CC3)C4=NC=C(C=N4)Br)F

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)C2=CC=C(C=C2)OCC3CCN(CC3)C4=NC=C(C=N4)Br)F

InChI

InChI=1S/C23H23BrFN3O3S/c1-32(29,30)20-6-7-21(22(25)12-20)17-2-4-19(5-3-17)31-15-16-8-10-28(11-9-16)23-26-13-18(24)14-27-23/h2-7,12-14,16H,8-11,15H2,1H3