(E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-(4-fluorophenyl)sulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-(4-fluorophenyl)sulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-(4-fluorophenyl)sulfonyl-prop-2-enenitrile CAS Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(4-fluorophenyl)sulfonyl-2-propenenitrile IUPAC Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(4-fluorophenyl)sulfonylprop-2-enenitrile Traditional Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-(4-fluorophenyl)sulfonyl-acrylonitrile Formula: C16H11BrFNO4S MolecularWeight: 412.230243

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)S(=O)(=O)C2=CC=C(C=C2)F)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C(\C#N)/S(=O)(=O)C2=CC=C(C=C2)F)Br)O

InChI

InChI=1S/C16H11BrFNO4S/c1-23-15-8-10(7-14(17)16(15)20)6-13(9-19)24(21,22)12-4-2-11(18)3-5-12/h2-8,20H,1H3/b13-6+