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

Systemtic Name: 4-[2,2-dimethyl-1-[3-(quinolin-2-ylsulfonylmethyl)phenyl]propyl]-5-oxidanyl-2,2-dipropyl-furan-3-one Openeye Name: 4-[2,2-dimethyl-1-[3-(2-quinolylsulfonylmethyl)phenyl]propyl]-5-hydroxy-2,2-dipropyl-furan-3-one CAS Name: 4-[2,2-dimethyl-1-[3-(2-quinolinylsulfonylmethyl)phenyl]propyl]-5-hydroxy-2,2-dipropyl-3-furanone IUPAC Name: 4-[2,2-dimethyl-1-[3-(quinolin-2-ylsulfonylmethyl)phenyl]propyl]-5-hydroxy-2,2-dipropylfuran-3-one Traditional Name: 4-[2,2-dimethyl-1-[3-(2-quinolylsulfonylmethyl)phenyl]propyl]-5-hydroxy-2,2-dipropyl-furan-3-one Formula: C31H37NO5S MolecularWeight: 535.69418

Click to see the large picture

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=C3)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=C3)C(C)(C)C)CCC

InChI

InChI=1S/C31H37NO5S/c1-6-17-31(18-7-2)28(33)26(29(34)37-31)27(30(3,4)5)23-13-10-11-21(19-23)20-38(35,36)25-16-15-22-12-8-9-14-24(22)32-25/h8-16,19,27,34H,6-7,17-18,20H2,1-5H3