ethyl 2-fluoranyl-2-pyrimidin-2-ylsulfonyl-hexanoate

Systemtic Name: ethyl 2-fluoranyl-2-pyrimidin-2-ylsulfonyl-hexanoate Openeye Name: ethyl 2-fluoro-2-pyrimidin-2-ylsulfonyl-hexanoate CAS Name: 2-fluoro-2-(2-pyrimidinylsulfonyl)hexanoic acid ethyl ester IUPAC Name: ethyl 2-fluoro-2-pyrimidin-2-ylsulfonylhexanoate Traditional Name: 2-fluoro-2-(2-pyrimidylsulfonyl)hexanoic acid ethyl ester Formula: C12H17FN2O4S MolecularWeight: 304.337783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OCC)(F)S(=O)(=O)C1=NC=CC=N1

Isomeric SMILES

CCCCC(C(=O)OCC)(F)S(=O)(=O)C1=NC=CC=N1

InChI

InChI=1S/C12H17FN2O4S/c1-3-5-7-12(13,10(16)19-4-2)20(17,18)11-14-8-6-9-15-11/h6,8-9H,3-5,7H2,1-2H3