2-(2-chloranyl-6-fluoranyl-phenyl)-1-[3-(5-methylsulfonylpyrimidin-4-yl)piperidin-1-yl]ethanone

Systemtic Name: 2-(2-chloranyl-6-fluoranyl-phenyl)-1-[3-(5-methylsulfonylpyrimidin-4-yl)piperidin-1-yl]ethanone Openeye Name: 2-(2-chloro-6-fluoro-phenyl)-1-[3-(5-methylsulfonylpyrimidin-4-yl)-1-piperidyl]ethanone CAS Name: 2-(2-chloro-6-fluorophenyl)-1-[3-(5-methylsulfonyl-4-pyrimidinyl)-1-piperidinyl]ethanone IUPAC Name: 2-(2-chloro-6-fluorophenyl)-1-[3-(5-methylsulfonylpyrimidin-4-yl)piperidin-1-yl]ethanone Traditional Name: 2-(2-chloro-6-fluoro-phenyl)-1-[3-(5-mesylpyrimidin-4-yl)piperidino]ethanone Formula: C18H19ClFN3O3S MolecularWeight: 411.878163

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CN=CN=C1C2CCCN(C2)C(=O)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CS(=O)(=O)C1=CN=CN=C1C2CCCN(C2)C(=O)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C18H19ClFN3O3S/c1-27(25,26)16-9-21-11-22-18(16)12-4-3-7-23(10-12)17(24)8-13-14(19)5-2-6-15(13)20/h2,5-6,9,11-12H,3-4,7-8,10H2,1H3