7-(3-methylsulfonylphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one

Systemtic Name: 7-(3-methylsulfonylphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one Openeye Name: 7-(3-methylsulfonylphenyl)-1-[5-(2-pyridyl)oxazol-2-yl]heptan-1-one CAS Name: 7-(3-methylsulfonylphenyl)-1-[5-(2-pyridinyl)-2-oxazolyl]-1-heptanone IUPAC Name: 7-(3-methylsulfonylphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one Traditional Name: 7-(3-mesylphenyl)-1-[5-(2-pyridyl)oxazol-2-yl]heptan-1-one Formula: C22H24N2O4S MolecularWeight: 412.50196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)CCCCCCC(=O)C2=NC=C(O2)C3=CC=CC=N3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)CCCCCCC(=O)C2=NC=C(O2)C3=CC=CC=N3

InChI

InChI=1S/C22H24N2O4S/c1-29(26,27)18-11-8-10-17(15-18)9-4-2-3-5-13-20(25)22-24-16-21(28-22)19-12-6-7-14-23-19/h6-8,10-12,14-16H,2-5,9,13H2,1H3