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

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

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1CCCCCCC(=O)C2=NC=C(O2)C3=CC=CC=N3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1CCCCCCC(=O)C2=NC=C(O2)C3=CC=CC=N3

InChI

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