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

Systemtic Name: (E)-2-(4-fluorophenyl)sulfonyl-3-[4-oxidanyl-3,5-di(propan-2-yl)phenyl]prop-2-enenitrile Openeye Name: (E)-2-(4-fluorophenyl)sulfonyl-3-(4-hydroxy-3,5-diisopropyl-phenyl)prop-2-enenitrile CAS Name: (E)-2-(4-fluorophenyl)sulfonyl-3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-2-propenenitrile IUPAC Name: (E)-2-(4-fluorophenyl)sulfonyl-3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]prop-2-enenitrile Traditional Name: (E)-2-(4-fluorophenyl)sulfonyl-3-(4-hydroxy-3,5-diisopropyl-phenyl)acrylonitrile Formula: C21H22FNO3S MolecularWeight: 387.467683

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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=C(C=C2)F

Isomeric SMILES

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

InChI

InChI=1S/C21H22FNO3S/c1-13(2)19-10-15(11-20(14(3)4)21(19)24)9-18(12-23)27(25,26)17-7-5-16(22)6-8-17/h5-11,13-14,24H,1-4H3/b18-9+