4-[[3-[cyclopropyl-[2-oxidanyl-4-oxidanylidene-6-(1-phenylbutan-2-yl)pyran-3-yl]methyl]phenyl]methylsulfonyl]benzenecarbonitrile

Systemtic Name: 4-[[3-[cyclopropyl-[2-oxidanyl-4-oxidanylidene-6-(1-phenylbutan-2-yl)pyran-3-yl]methyl]phenyl]methylsulfonyl]benzenecarbonitrile Openeye Name: 4-[[3-[[6-(1-benzylpropyl)-2-hydroxy-4-oxo-pyran-3-yl]-cyclopropyl-methyl]phenyl]methylsulfonyl]benzonitrile CAS Name: 4-[[3-[cyclopropyl-[2-hydroxy-4-oxo-6-(1-phenylbutan-2-yl)-3-pyranyl]methyl]phenyl]methylsulfonyl]benzonitrile IUPAC Name: 4-[[3-[cyclopropyl-[2-hydroxy-4-oxo-6-(1-phenylbutan-2-yl)pyran-3-yl]methyl]phenyl]methylsulfonyl]benzonitrile Traditional Name: 4-[3-[[6-(1-benzylpropyl)-2-hydroxy-4-keto-pyran-3-yl]-cyclopropyl-methyl]benzyl]sulfonylbenzonitrile Formula: C33H31NO5S MolecularWeight: 553.66794

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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=CC=C(C=C5)C#N

Isomeric SMILES

CCC(CC1=CC=CC=C1)C2=CC(=O)C(=C(O2)O)C(C3CC3)C4=CC=CC(=C4)CS(=O)(=O)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C33H31NO5S/c1-2-25(17-22-7-4-3-5-8-22)30-19-29(35)32(33(36)39-30)31(26-13-14-26)27-10-6-9-24(18-27)21-40(37,38)28-15-11-23(20-34)12-16-28/h3-12,15-16,18-19,25-26,31,36H,2,13-14,17,21H2,1H3