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

Systemtic Name: 6-[[3-[cyclopropyl-[2-oxidanyl-4-oxidanylidene-6-(1-phenylbutan-2-yl)pyran-3-yl]methyl]phenyl]methylsulfonyl]pyridine-3-carbonitrile Openeye Name: 6-[[3-[[6-(1-benzylpropyl)-2-hydroxy-4-oxo-pyran-3-yl]-cyclopropyl-methyl]phenyl]methylsulfonyl]pyridine-3-carbonitrile CAS Name: 6-[[3-[cyclopropyl-[2-hydroxy-4-oxo-6-(1-phenylbutan-2-yl)-3-pyranyl]methyl]phenyl]methylsulfonyl]-3-pyridinecarbonitrile IUPAC Name: 6-[[3-[cyclopropyl-[2-hydroxy-4-oxo-6-(1-phenylbutan-2-yl)pyran-3-yl]methyl]phenyl]methylsulfonyl]pyridine-3-carbonitrile Traditional Name: 6-[3-[[6-(1-benzylpropyl)-2-hydroxy-4-keto-pyran-3-yl]-cyclopropyl-methyl]benzyl]sulfonylnicotinonitrile Formula: C32H30N2O5S MolecularWeight: 554.656

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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=NC=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=NC=C(C=C5)C#N

InChI

InChI=1S/C32H30N2O5S/c1-2-24(15-21-7-4-3-5-8-21)28-17-27(35)31(32(36)39-28)30(25-12-13-25)26-10-6-9-22(16-26)20-40(37,38)29-14-11-23(18-33)19-34-29/h3-11,14,16-17,19,24-25,30,36H,2,12-13,15,20H2,1H3