3-[cyclopropyl-[3-[(1-methylimidazol-4-yl)sulfonylmethyl]phenyl]methyl]-2-oxidanyl-6-(1-phenylbutan-2-yl)pyran-4-one

Systemtic Name: 3-[cyclopropyl-[3-[(1-methylimidazol-4-yl)sulfonylmethyl]phenyl]methyl]-2-oxidanyl-6-(1-phenylbutan-2-yl)pyran-4-one Openeye Name: 6-(1-benzylpropyl)-3-[cyclopropyl-[3-[(1-methylimidazol-4-yl)sulfonylmethyl]phenyl]methyl]-2-hydroxy-pyran-4-one CAS Name: 3-[cyclopropyl-[3-[(1-methyl-4-imidazolyl)sulfonylmethyl]phenyl]methyl]-2-hydroxy-6-(1-phenylbutan-2-yl)-4-pyranone IUPAC Name: 3-[cyclopropyl-[3-[(1-methylimidazol-4-yl)sulfonylmethyl]phenyl]methyl]-2-hydroxy-6-(1-phenylbutan-2-yl)pyran-4-one Traditional Name: 6-(1-benzylpropyl)-3-[cyclopropyl-[3-[(1-methylimidazol-4-yl)sulfonylmethyl]phenyl]methyl]-2-hydroxy-pyran-4-one Formula: C30H32N2O5S MolecularWeight: 532.65048

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)C2=CC(=O)C(=C(O2)O)C(C3CC3)C4=CC=CC(=C4)CS(=O)(=O)C5=CN(C=N5)C

Isomeric SMILES

CCC(CC1=CC=CC=C1)C2=CC(=O)C(=C(O2)O)C(C3CC3)C4=CC=CC(=C4)CS(=O)(=O)C5=CN(C=N5)C

InChI

InChI=1S/C30H32N2O5S/c1-3-22(14-20-8-5-4-6-9-20)26-16-25(33)29(30(34)37-26)28(23-12-13-23)24-11-7-10-21(15-24)18-38(35,36)27-17-32(2)19-31-27/h4-11,15-17,19,22-23,28,34H,3,12-14,18H2,1-2H3