(E)-3-(3-bromanyl-5-tert-butyl-4-oxidanyl-phenyl)-2-(phenylsulfonyl)prop-2-enenitrile

Systemtic Name: (E)-3-(3-bromanyl-5-tert-butyl-4-oxidanyl-phenyl)-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: (E)-2-(benzenesulfonyl)-3-(3-bromo-5-tert-butyl-4-hydroxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-(benzenesulfonyl)-3-(3-bromo-5-tert-butyl-4-hydroxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(benzenesulfonyl)-3-(3-bromo-5-tert-butyl-4-hydroxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-besyl-3-(3-bromo-5-tert-butyl-4-hydroxy-phenyl)acrylonitrile Formula: C19H18BrNO3S MolecularWeight: 420.32012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=CC(=C1)C=C(C#N)S(=O)(=O)C2=CC=CC=C2)Br)O

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrNO3S/c1-19(2,3)16-10-13(11-17(20)18(16)22)9-15(12-21)25(23,24)14-7-5-4-6-8-14/h4-11,22H,1-3H3/b15-9+