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

Systemtic Name: 4-[2,2-dimethyl-1-[3-(pyridin-2-ylsulfonylmethyl)phenyl]propyl]-5-oxidanyl-2,2-dipropyl-furan-3-one Openeye Name: 4-[2,2-dimethyl-1-[3-(2-pyridylsulfonylmethyl)phenyl]propyl]-5-hydroxy-2,2-dipropyl-furan-3-one CAS Name: 4-[2,2-dimethyl-1-[3-(2-pyridinylsulfonylmethyl)phenyl]propyl]-5-hydroxy-2,2-dipropyl-3-furanone IUPAC Name: 4-[2,2-dimethyl-1-[3-(pyridin-2-ylsulfonylmethyl)phenyl]propyl]-5-hydroxy-2,2-dipropylfuran-3-one Traditional Name: 4-[2,2-dimethyl-1-[3-(2-pyridylsulfonylmethyl)phenyl]propyl]-5-hydroxy-2,2-dipropyl-furan-3-one Formula: C27H35NO5S MolecularWeight: 485.6355

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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=CC=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=CC=CC=N3)C(C)(C)C)CCC

InChI

InChI=1S/C27H35NO5S/c1-6-14-27(15-7-2)24(29)22(25(30)33-27)23(26(3,4)5)20-12-10-11-19(17-20)18-34(31,32)21-13-8-9-16-28-21/h8-13,16-17,23,30H,6-7,14-15,18H2,1-5H3