6-[[3-[2,2-dimethyl-1-(2-oxidanyl-4-oxidanylidene-5,5-dipropyl-furan-3-yl)propyl]phenyl]methylsulfonyl]pyridine-3-carbonitrile

Systemtic Name: 6-[[3-[2,2-dimethyl-1-(2-oxidanyl-4-oxidanylidene-5,5-dipropyl-furan-3-yl)propyl]phenyl]methylsulfonyl]pyridine-3-carbonitrile Openeye Name: 6-[[3-[1-(2-hydroxy-4-oxo-5,5-dipropyl-3-furyl)-2,2-dimethyl-propyl]phenyl]methylsulfonyl]pyridine-3-carbonitrile CAS Name: 6-[[3-[1-(2-hydroxy-4-oxo-5,5-dipropyl-3-furanyl)-2,2-dimethylpropyl]phenyl]methylsulfonyl]-3-pyridinecarbonitrile IUPAC Name: 6-[[3-[1-(2-hydroxy-4-oxo-5,5-dipropylfuran-3-yl)-2,2-dimethylpropyl]phenyl]methylsulfonyl]pyridine-3-carbonitrile Traditional Name: 6-[3-[1-(2-hydroxy-4-keto-5,5-dipropyl-3-furyl)-2,2-dimethyl-propyl]benzyl]sulfonylnicotinonitrile Formula: C28H34N2O5S MolecularWeight: 510.64496

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C(=O)C(=C(O1)O)C(C2=CC=CC(=C2)CS(=O)(=O)C3=NC=C(C=C3)C#N)C(C)(C)C)CCC

Isomeric SMILES

CCCC1(C(=O)C(=C(O1)O)C(C2=CC=CC(=C2)CS(=O)(=O)C3=NC=C(C=C3)C#N)C(C)(C)C)CCC

InChI

InChI=1S/C28H34N2O5S/c1-6-13-28(14-7-2)25(31)23(26(32)35-28)24(27(3,4)5)21-10-8-9-19(15-21)18-36(33,34)22-12-11-20(16-29)17-30-22/h8-12,15,17,24,32H,6-7,13-14,18H2,1-5H3