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

Systemtic Name: 4-[cyclopropyl-[3-(quinolin-2-ylsulfonylmethyl)phenyl]methyl]-5-oxidanyl-2,2-dipropyl-furan-3-one Openeye Name: 4-[cyclopropyl-[3-(2-quinolylsulfonylmethyl)phenyl]methyl]-5-hydroxy-2,2-dipropyl-furan-3-one CAS Name: 4-[cyclopropyl-[3-(2-quinolinylsulfonylmethyl)phenyl]methyl]-5-hydroxy-2,2-dipropyl-3-furanone IUPAC Name: 4-[cyclopropyl-[3-(quinolin-2-ylsulfonylmethyl)phenyl]methyl]-5-hydroxy-2,2-dipropylfuran-3-one Traditional Name: 4-[cyclopropyl-[3-(2-quinolylsulfonylmethyl)phenyl]methyl]-5-hydroxy-2,2-dipropyl-furan-3-one Formula: C30H33NO5S MolecularWeight: 519.65172

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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=NC5=CC=CC=C5C=C4)CCC

Isomeric SMILES

CCCC1(C(=O)C(=C(O1)O)C(C2CC2)C3=CC=CC(=C3)CS(=O)(=O)C4=NC5=CC=CC=C5C=C4)CCC

InChI

InChI=1S/C30H33NO5S/c1-3-16-30(17-4-2)28(32)27(29(33)36-30)26(22-12-13-22)23-10-7-8-20(18-23)19-37(34,35)25-15-14-21-9-5-6-11-24(21)31-25/h5-11,14-15,18,22,26,33H,3-4,12-13,16-17,19H2,1-2H3