6-[[3-[cyclopropyl-(2-oxidanyl-4-oxidanylidene-5,5-dipropyl-furan-3-yl)methyl]phenyl]methylsulfonyl]pyridine-3-carbonitrile

Systemtic Name: 6-[[3-[cyclopropyl-(2-oxidanyl-4-oxidanylidene-5,5-dipropyl-furan-3-yl)methyl]phenyl]methylsulfonyl]pyridine-3-carbonitrile Openeye Name: 6-[[3-[cyclopropyl-(2-hydroxy-4-oxo-5,5-dipropyl-3-furyl)methyl]phenyl]methylsulfonyl]pyridine-3-carbonitrile CAS Name: 6-[[3-[cyclopropyl-(2-hydroxy-4-oxo-5,5-dipropyl-3-furanyl)methyl]phenyl]methylsulfonyl]-3-pyridinecarbonitrile IUPAC Name: 6-[[3-[cyclopropyl-(2-hydroxy-4-oxo-5,5-dipropylfuran-3-yl)methyl]phenyl]methylsulfonyl]pyridine-3-carbonitrile Traditional Name: 6-[3-[cyclopropyl-(2-hydroxy-4-keto-5,5-dipropyl-3-furyl)methyl]benzyl]sulfonylnicotinonitrile Formula: C27H30N2O5S MolecularWeight: 494.6025

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C(=O)C(=C(O1)O)C(C2CC2)C3=CC=CC(=C3)CS(=O)(=O)C4=NC=C(C=C4)C#N)CCC

Isomeric SMILES

CCCC1(C(=O)C(=C(O1)O)C(C2CC2)C3=CC=CC(=C3)CS(=O)(=O)C4=NC=C(C=C4)C#N)CCC

InChI

InChI=1S/C27H30N2O5S/c1-3-12-27(13-4-2)25(30)24(26(31)34-27)23(20-9-10-20)21-7-5-6-18(14-21)17-35(32,33)22-11-8-19(15-28)16-29-22/h5-8,11,14,16,20,23,31H,3-4,9-10,12-13,17H2,1-2H3