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

Systemtic Name: (E)-3-[4-oxidanyl-3,5-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]sulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(4-hydroxy-3,5-diisopropyl-phenyl)-2-[3-(trifluoromethyl)phenyl]sulfonyl-prop-2-enenitrile CAS Name: (E)-3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]sulfonyl-2-propenenitrile IUPAC Name: (E)-3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]sulfonylprop-2-enenitrile Traditional Name: (E)-3-(4-hydroxy-3,5-diisopropyl-phenyl)-2-[3-(trifluoromethyl)phenyl]sulfonyl-acrylonitrile Formula: C22H22F3NO3S MolecularWeight: 437.47519

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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)C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CC(C)C1=CC(=CC(=C1O)C(C)C)/C=C(\C#N)/S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C22H22F3NO3S/c1-13(2)19-9-15(10-20(14(3)4)21(19)27)8-18(12-26)30(28,29)17-7-5-6-16(11-17)22(23,24)25/h5-11,13-14,27H,1-4H3/b18-8+