4-(2-fluoranyl-4-methylsulfonyl-phenoxy)-6-[4-(3-fluoranylphenoxy)piperidin-1-yl]pyrimidine

Systemtic Name: 4-(2-fluoranyl-4-methylsulfonyl-phenoxy)-6-[4-(3-fluoranylphenoxy)piperidin-1-yl]pyrimidine Openeye Name: 4-(2-fluoro-4-methylsulfonyl-phenoxy)-6-[4-(3-fluorophenoxy)-1-piperidyl]pyrimidine CAS Name: 4-(2-fluoro-4-methylsulfonylphenoxy)-6-[4-(3-fluorophenoxy)-1-piperidinyl]pyrimidine IUPAC Name: 4-(2-fluoro-4-methylsulfonylphenoxy)-6-[4-(3-fluorophenoxy)piperidin-1-yl]pyrimidine Traditional Name: 4-(2-fluoro-4-mesyl-phenoxy)-6-[4-(3-fluorophenoxy)piperidino]pyrimidine Formula: C22H21F2N3O4S MolecularWeight: 461.481646

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)OC2=NC=NC(=C2)N3CCC(CC3)OC4=CC(=CC=C4)F)F

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)OC2=NC=NC(=C2)N3CCC(CC3)OC4=CC(=CC=C4)F)F

InChI

InChI=1S/C22H21F2N3O4S/c1-32(28,29)18-5-6-20(19(24)12-18)31-22-13-21(25-14-26-22)27-9-7-16(8-10-27)30-17-4-2-3-15(23)11-17/h2-6,11-14,16H,7-10H2,1H3