(E)-2-(cyanomethylsulfonyl)-3-[4-oxidanyl-3,5-di(propan-2-yl)phenyl]prop-2-enenitrile

Systemtic Name: (E)-2-(cyanomethylsulfonyl)-3-[4-oxidanyl-3,5-di(propan-2-yl)phenyl]prop-2-enenitrile Openeye Name: (E)-2-(cyanomethylsulfonyl)-3-(4-hydroxy-3,5-diisopropyl-phenyl)prop-2-enenitrile CAS Name: (E)-2-(cyanomethylsulfonyl)-3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-2-propenenitrile IUPAC Name: (E)-2-(cyanomethylsulfonyl)-3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]prop-2-enenitrile Traditional Name: (E)-2-(cyanomethylsulfonyl)-3-(4-hydroxy-3,5-diisopropyl-phenyl)acrylonitrile Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC(=C1O)C(C)C)C=C(C#N)S(=O)(=O)CC#N

Isomeric SMILES

CC(C)C1=CC(=CC(=C1O)C(C)C)/C=C(\C#N)/S(=O)(=O)CC#N

InChI

InChI=1S/C17H20N2O3S/c1-11(2)15-8-13(9-16(12(3)4)17(15)20)7-14(10-19)23(21,22)6-5-18/h7-9,11-12,20H,6H2,1-4H3/b14-7+