4-[[3-[cyclopropyl-(6-oxidanyl-4-oxidanylidene-2-phenethyl-2-propyl-3H-pyran-5-yl)methyl]phenyl]methylsulfonyl]benzenecarbonitrile

Systemtic Name: 4-[[3-[cyclopropyl-(6-oxidanyl-4-oxidanylidene-2-phenethyl-2-propyl-3H-pyran-5-yl)methyl]phenyl]methylsulfonyl]benzenecarbonitrile Openeye Name: 4-[[3-[cyclopropyl-(6-hydroxy-4-oxo-2-phenethyl-2-propyl-3H-pyran-5-yl)methyl]phenyl]methylsulfonyl]benzonitrile CAS Name: 4-[[3-[cyclopropyl-(6-hydroxy-4-oxo-2-phenethyl-2-propyl-3H-pyran-5-yl)methyl]phenyl]methylsulfonyl]benzonitrile IUPAC Name: 4-[[3-[cyclopropyl-(6-hydroxy-4-oxo-2-phenethyl-2-propyl-3H-pyran-5-yl)methyl]phenyl]methylsulfonyl]benzonitrile Traditional Name: 4-[3-[cyclopropyl-(6-hydroxy-4-keto-2-phenethyl-2-propyl-3H-pyran-5-yl)methyl]benzyl]sulfonylbenzonitrile Formula: C34H35NO5S MolecularWeight: 569.7104

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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=CC=C(C=C4)C#N)CCC5=CC=CC=C5

Isomeric SMILES

CCCC1(CC(=O)C(=C(O1)O)C(C2CC2)C3=CC=CC(=C3)CS(=O)(=O)C4=CC=C(C=C4)C#N)CCC5=CC=CC=C5

InChI

InChI=1S/C34H35NO5S/c1-2-18-34(19-17-24-7-4-3-5-8-24)21-30(36)32(33(37)40-34)31(27-13-14-27)28-10-6-9-26(20-28)23-41(38,39)29-15-11-25(22-35)12-16-29/h3-12,15-16,20,27,31,37H,2,13-14,17-19,21,23H2,1H3