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

Systemtic Name: 4-[2,2-dimethyl-1-[3-(quinazolin-2-ylsulfonylmethyl)phenyl]propyl]-5-oxidanyl-2,2-dipropyl-furan-3-one Openeye Name: 4-[2,2-dimethyl-1-[3-(quinazolin-2-ylsulfonylmethyl)phenyl]propyl]-5-hydroxy-2,2-dipropyl-furan-3-one CAS Name: 4-[2,2-dimethyl-1-[3-(2-quinazolinylsulfonylmethyl)phenyl]propyl]-5-hydroxy-2,2-dipropyl-3-furanone IUPAC Name: 4-[2,2-dimethyl-1-[3-(quinazolin-2-ylsulfonylmethyl)phenyl]propyl]-5-hydroxy-2,2-dipropylfuran-3-one Traditional Name: 4-[2,2-dimethyl-1-[3-(quinazolin-2-ylsulfonylmethyl)phenyl]propyl]-5-hydroxy-2,2-dipropyl-furan-3-one Formula: C30H36N2O5S MolecularWeight: 536.68224

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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=NC4=CC=CC=C4C=N3)C(C)(C)C)CCC

Isomeric SMILES

CCCC1(C(=O)C(=C(O1)O)C(C2=CC=CC(=C2)CS(=O)(=O)C3=NC4=CC=CC=C4C=N3)C(C)(C)C)CCC

InChI

InChI=1S/C30H36N2O5S/c1-6-15-30(16-7-2)26(33)24(27(34)37-30)25(29(3,4)5)21-13-10-11-20(17-21)19-38(35,36)28-31-18-22-12-8-9-14-23(22)32-28/h8-14,17-18,25,34H,6-7,15-16,19H2,1-5H3