5-[cyclopropyl-[3-[(1-methylimidazol-4-yl)sulfonylmethyl]phenyl]methyl]-6-oxidanyl-2-phenethyl-2-propyl-3H-pyran-4-one

Systemtic Name: 5-[cyclopropyl-[3-[(1-methylimidazol-4-yl)sulfonylmethyl]phenyl]methyl]-6-oxidanyl-2-phenethyl-2-propyl-3H-pyran-4-one Openeye Name: 5-[cyclopropyl-[3-[(1-methylimidazol-4-yl)sulfonylmethyl]phenyl]methyl]-6-hydroxy-2-phenethyl-2-propyl-3H-pyran-4-one CAS Name: 5-[cyclopropyl-[3-[(1-methyl-4-imidazolyl)sulfonylmethyl]phenyl]methyl]-6-hydroxy-2-phenethyl-2-propyl-3H-pyran-4-one IUPAC Name: 5-[cyclopropyl-[3-[(1-methylimidazol-4-yl)sulfonylmethyl]phenyl]methyl]-6-hydroxy-2-phenethyl-2-propyl-3H-pyran-4-one Traditional Name: 5-[cyclopropyl-[3-[(1-methylimidazol-4-yl)sulfonylmethyl]phenyl]methyl]-6-hydroxy-2-phenethyl-2-propyl-3H-pyran-4-one Formula: C31H36N2O5S MolecularWeight: 548.69294

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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=CN(C=N4)C)CCC5=CC=CC=C5

Isomeric SMILES

CCCC1(CC(=O)C(=C(O1)O)C(C2CC2)C3=CC=CC(=C3)CS(=O)(=O)C4=CN(C=N4)C)CCC5=CC=CC=C5

InChI

InChI=1S/C31H36N2O5S/c1-3-15-31(16-14-22-8-5-4-6-9-22)18-26(34)29(30(35)38-31)28(24-12-13-24)25-11-7-10-23(17-25)20-39(36,37)27-19-33(2)21-32-27/h4-11,17,19,21,24,28,35H,3,12-16,18,20H2,1-2H3