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

Systemtic Name: 4-[cyclopropyl-[3-(quinazolin-2-ylsulfonylmethyl)phenyl]methyl]-5-oxidanyl-2,2-dipropyl-furan-3-one Openeye Name: 4-[cyclopropyl-[3-(quinazolin-2-ylsulfonylmethyl)phenyl]methyl]-5-hydroxy-2,2-dipropyl-furan-3-one CAS Name: 4-[cyclopropyl-[3-(2-quinazolinylsulfonylmethyl)phenyl]methyl]-5-hydroxy-2,2-dipropyl-3-furanone IUPAC Name: 4-[cyclopropyl-[3-(quinazolin-2-ylsulfonylmethyl)phenyl]methyl]-5-hydroxy-2,2-dipropylfuran-3-one Traditional Name: 4-[cyclopropyl-[3-(quinazolin-2-ylsulfonylmethyl)phenyl]methyl]-5-hydroxy-2,2-dipropyl-furan-3-one Formula: C29H32N2O5S MolecularWeight: 520.63978

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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=N4)CCC

Isomeric SMILES

CCCC1(C(=O)C(=C(O1)O)C(C2CC2)C3=CC=CC(=C3)CS(=O)(=O)C4=NC5=CC=CC=C5C=N4)CCC

InChI

InChI=1S/C29H32N2O5S/c1-3-14-29(15-4-2)26(32)25(27(33)36-29)24(20-12-13-20)21-10-7-8-19(16-21)18-37(34,35)28-30-17-22-9-5-6-11-23(22)31-28/h5-11,16-17,20,24,33H,3-4,12-15,18H2,1-2H3