5-[cyclopropyl-[3-(quinolin-2-ylsulfonylmethyl)phenyl]methyl]-6-oxidanyl-2-phenethyl-2-propyl-3H-pyran-4-one

Systemtic Name: 5-[cyclopropyl-[3-(quinolin-2-ylsulfonylmethyl)phenyl]methyl]-6-oxidanyl-2-phenethyl-2-propyl-3H-pyran-4-one Openeye Name: 5-[cyclopropyl-[3-(2-quinolylsulfonylmethyl)phenyl]methyl]-6-hydroxy-2-phenethyl-2-propyl-3H-pyran-4-one CAS Name: 5-[cyclopropyl-[3-(2-quinolinylsulfonylmethyl)phenyl]methyl]-6-hydroxy-2-phenethyl-2-propyl-3H-pyran-4-one IUPAC Name: 5-[cyclopropyl-[3-(quinolin-2-ylsulfonylmethyl)phenyl]methyl]-6-hydroxy-2-phenethyl-2-propyl-3H-pyran-4-one Traditional Name: 5-[cyclopropyl-[3-(2-quinolylsulfonylmethyl)phenyl]methyl]-6-hydroxy-2-phenethyl-2-propyl-3H-pyran-4-one Formula: C36H37NO5S MolecularWeight: 595.74768

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CC(=O)C(=C(O1)O)C(C2CC2)C3=CC=CC(=C3)CS(=O)(=O)C4=NC5=CC=CC=C5C=C4)CCC6=CC=CC=C6

Isomeric SMILES

CCCC1(CC(=O)C(=C(O1)O)C(C2CC2)C3=CC=CC(=C3)CS(=O)(=O)C4=NC5=CC=CC=C5C=C4)CCC6=CC=CC=C6

InChI

InChI=1S/C36H37NO5S/c1-2-20-36(21-19-25-9-4-3-5-10-25)23-31(38)34(35(39)42-36)33(28-15-16-28)29-13-8-11-26(22-29)24-43(40,41)32-18-17-27-12-6-7-14-30(27)37-32/h3-14,17-18,22,28,33,39H,2,15-16,19-21,23-24H2,1H3