5-[cyclopropyl-[3-(pyridin-2-ylsulfonylmethyl)phenyl]methyl]-6-oxidanyl-2-phenethyl-2-propyl-3H-pyran-4-one

Systemtic Name: 5-[cyclopropyl-[3-(pyridin-2-ylsulfonylmethyl)phenyl]methyl]-6-oxidanyl-2-phenethyl-2-propyl-3H-pyran-4-one Openeye Name: 5-[cyclopropyl-[3-(2-pyridylsulfonylmethyl)phenyl]methyl]-6-hydroxy-2-phenethyl-2-propyl-3H-pyran-4-one CAS Name: 5-[cyclopropyl-[3-(2-pyridinylsulfonylmethyl)phenyl]methyl]-6-hydroxy-2-phenethyl-2-propyl-3H-pyran-4-one IUPAC Name: 5-[cyclopropyl-[3-(pyridin-2-ylsulfonylmethyl)phenyl]methyl]-6-hydroxy-2-phenethyl-2-propyl-3H-pyran-4-one Traditional Name: 5-[cyclopropyl-[3-(2-pyridylsulfonylmethyl)phenyl]methyl]-6-hydroxy-2-phenethyl-2-propyl-3H-pyran-4-one Formula: C32H35NO5S MolecularWeight: 545.689

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CC(=O)C(=C(O1)O)C(C2CC2)C3=CC=CC(=C3)CS(=O)(=O)C4=CC=CC=N4)CCC5=CC=CC=C5

Isomeric SMILES

CCCC1(CC(=O)C(=C(O1)O)C(C2CC2)C3=CC=CC(=C3)CS(=O)(=O)C4=CC=CC=N4)CCC5=CC=CC=C5

InChI

InChI=1S/C32H35NO5S/c1-2-17-32(18-16-23-9-4-3-5-10-23)21-27(34)30(31(35)38-32)29(25-14-15-25)26-12-8-11-24(20-26)22-39(36,37)28-13-6-7-19-33-28/h3-13,19-20,25,29,35H,2,14-18,21-22H2,1H3