3-[cyclopropyl-[3-(pyridin-2-ylsulfonylmethyl)phenyl]methyl]-2-oxidanyl-6-(1-phenylbutan-2-yl)pyran-4-one

Systemtic Name: 3-[cyclopropyl-[3-(pyridin-2-ylsulfonylmethyl)phenyl]methyl]-2-oxidanyl-6-(1-phenylbutan-2-yl)pyran-4-one Openeye Name: 6-(1-benzylpropyl)-3-[cyclopropyl-[3-(2-pyridylsulfonylmethyl)phenyl]methyl]-2-hydroxy-pyran-4-one CAS Name: 3-[cyclopropyl-[3-(2-pyridinylsulfonylmethyl)phenyl]methyl]-2-hydroxy-6-(1-phenylbutan-2-yl)-4-pyranone IUPAC Name: 3-[cyclopropyl-[3-(pyridin-2-ylsulfonylmethyl)phenyl]methyl]-2-hydroxy-6-(1-phenylbutan-2-yl)pyran-4-one Traditional Name: 6-(1-benzylpropyl)-3-[cyclopropyl-[3-(2-pyridylsulfonylmethyl)phenyl]methyl]-2-hydroxy-pyran-4-one Formula: C31H31NO5S MolecularWeight: 529.64654

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)C2=CC(=O)C(=C(O2)O)C(C3CC3)C4=CC=CC(=C4)CS(=O)(=O)C5=CC=CC=N5

Isomeric SMILES

CCC(CC1=CC=CC=C1)C2=CC(=O)C(=C(O2)O)C(C3CC3)C4=CC=CC(=C4)CS(=O)(=O)C5=CC=CC=N5

InChI

InChI=1S/C31H31NO5S/c1-2-23(17-21-9-4-3-5-10-21)27-19-26(33)30(31(34)37-27)29(24-14-15-24)25-12-8-11-22(18-25)20-38(35,36)28-13-6-7-16-32-28/h3-13,16,18-19,23-24,29,34H,2,14-15,17,20H2,1H3