1-[[3-(3-methylsulfonylphenyl)-5-(trifluoromethyl)pyridin-2-yl]oxymethyl]cyclobutan-1-ol

Systemtic Name: 1-[[3-(3-methylsulfonylphenyl)-5-(trifluoromethyl)pyridin-2-yl]oxymethyl]cyclobutan-1-ol Openeye Name: 1-[[3-(3-methylsulfonylphenyl)-5-(trifluoromethyl)-2-pyridyl]oxymethyl]cyclobutanol CAS Name: 1-[[3-(3-methylsulfonylphenyl)-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1-cyclobutanol IUPAC Name: 1-[[3-(3-methylsulfonylphenyl)-5-(trifluoromethyl)pyridin-2-yl]oxymethyl]cyclobutan-1-ol Traditional Name: 1-[[3-(3-mesylphenyl)-5-(trifluoromethyl)-2-pyridyl]oxymethyl]cyclobutanol Formula: C18H18F3NO4S MolecularWeight: 401.40003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C2=CC(=CN=C2OCC3(CCC3)O)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C2=CC(=CN=C2OCC3(CCC3)O)C(F)(F)F

InChI

InChI=1S/C18H18F3NO4S/c1-27(24,25)14-5-2-4-12(8-14)15-9-13(18(19,20)21)10-22-16(15)26-11-17(23)6-3-7-17/h2,4-5,8-10,23H,3,6-7,11H2,1H3