4-[cyclopropyl-[3-(pyrimidin-2-ylsulfonylmethyl)phenyl]methyl]-5-oxidanyl-2,2-dipropyl-furan-3-one

Systemtic Name: 4-[cyclopropyl-[3-(pyrimidin-2-ylsulfonylmethyl)phenyl]methyl]-5-oxidanyl-2,2-dipropyl-furan-3-one Openeye Name: 4-[cyclopropyl-[3-(pyrimidin-2-ylsulfonylmethyl)phenyl]methyl]-5-hydroxy-2,2-dipropyl-furan-3-one CAS Name: 4-[cyclopropyl-[3-(2-pyrimidinylsulfonylmethyl)phenyl]methyl]-5-hydroxy-2,2-dipropyl-3-furanone IUPAC Name: 4-[cyclopropyl-[3-(pyrimidin-2-ylsulfonylmethyl)phenyl]methyl]-5-hydroxy-2,2-dipropylfuran-3-one Traditional Name: 4-[cyclopropyl-[3-(2-pyrimidylsulfonylmethyl)phenyl]methyl]-5-hydroxy-2,2-dipropyl-furan-3-one Formula: C25H30N2O5S MolecularWeight: 470.5811

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C(=O)C(=C(O1)O)C(C2CC2)C3=CC=CC(=C3)CS(=O)(=O)C4=NC=CC=N4)CCC

Isomeric SMILES

CCCC1(C(=O)C(=C(O1)O)C(C2CC2)C3=CC=CC(=C3)CS(=O)(=O)C4=NC=CC=N4)CCC

InChI

InChI=1S/C25H30N2O5S/c1-3-11-25(12-4-2)22(28)21(23(29)32-25)20(18-9-10-18)19-8-5-7-17(15-19)16-33(30,31)24-26-13-6-14-27-24/h5-8,13-15,18,20,29H,3-4,9-12,16H2,1-2H3