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

Systemtic Name: 6-[[3-[cyclopropyl-(6-oxidanyl-4-oxidanylidene-2-phenethyl-2-propyl-3H-pyran-5-yl)methyl]phenyl]methylsulfonyl]pyridine-3-carbonitrile Openeye Name: 6-[[3-[cyclopropyl-(6-hydroxy-4-oxo-2-phenethyl-2-propyl-3H-pyran-5-yl)methyl]phenyl]methylsulfonyl]pyridine-3-carbonitrile CAS Name: 6-[[3-[cyclopropyl-(6-hydroxy-4-oxo-2-phenethyl-2-propyl-3H-pyran-5-yl)methyl]phenyl]methylsulfonyl]-3-pyridinecarbonitrile IUPAC Name: 6-[[3-[cyclopropyl-(6-hydroxy-4-oxo-2-phenethyl-2-propyl-3H-pyran-5-yl)methyl]phenyl]methylsulfonyl]pyridine-3-carbonitrile Traditional Name: 6-[3-[cyclopropyl-(6-hydroxy-4-keto-2-phenethyl-2-propyl-3H-pyran-5-yl)methyl]benzyl]sulfonylnicotinonitrile Formula: C33H34N2O5S MolecularWeight: 570.69846

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

InChI

InChI=1S/C33H34N2O5S/c1-2-16-33(17-15-23-7-4-3-5-8-23)19-28(36)31(32(37)40-33)30(26-12-13-26)27-10-6-9-24(18-27)22-41(38,39)29-14-11-25(20-34)21-35-29/h3-11,14,18,21,26,30,37H,2,12-13,15-17,19,22H2,1H3