4-[2,2-dimethyl-1-[3-(pyrimidin-2-ylsulfonylmethyl)phenyl]propyl]-5-oxidanyl-2,2-dipropyl-furan-3-one

Systemtic Name: 4-[2,2-dimethyl-1-[3-(pyrimidin-2-ylsulfonylmethyl)phenyl]propyl]-5-oxidanyl-2,2-dipropyl-furan-3-one Openeye Name: 4-[2,2-dimethyl-1-[3-(pyrimidin-2-ylsulfonylmethyl)phenyl]propyl]-5-hydroxy-2,2-dipropyl-furan-3-one CAS Name: 4-[2,2-dimethyl-1-[3-(2-pyrimidinylsulfonylmethyl)phenyl]propyl]-5-hydroxy-2,2-dipropyl-3-furanone IUPAC Name: 4-[2,2-dimethyl-1-[3-(pyrimidin-2-ylsulfonylmethyl)phenyl]propyl]-5-hydroxy-2,2-dipropylfuran-3-one Traditional Name: 4-[2,2-dimethyl-1-[3-(2-pyrimidylsulfonylmethyl)phenyl]propyl]-5-hydroxy-2,2-dipropyl-furan-3-one Formula: C26H34N2O5S MolecularWeight: 486.62356

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C(=O)C(=C(O1)O)C(C2=CC=CC(=C2)CS(=O)(=O)C3=NC=CC=N3)C(C)(C)C)CCC

Isomeric SMILES

CCCC1(C(=O)C(=C(O1)O)C(C2=CC=CC(=C2)CS(=O)(=O)C3=NC=CC=N3)C(C)(C)C)CCC

InChI

InChI=1S/C26H34N2O5S/c1-6-12-26(13-7-2)22(29)20(23(30)33-26)21(25(3,4)5)19-11-8-10-18(16-19)17-34(31,32)24-27-14-9-15-28-24/h8-11,14-16,21,30H,6-7,12-13,17H2,1-5H3