(E)-3-[3-bromanyl-4,5-bis(oxidanyl)phenyl]-2-(4-fluorophenyl)sulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[3-bromanyl-4,5-bis(oxidanyl)phenyl]-2-(4-fluorophenyl)sulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-bromo-4,5-dihydroxy-phenyl)-2-(4-fluorophenyl)sulfonyl-prop-2-enenitrile CAS Name: (E)-3-(3-bromo-4,5-dihydroxyphenyl)-2-(4-fluorophenyl)sulfonyl-2-propenenitrile IUPAC Name: (E)-3-(3-bromo-4,5-dihydroxyphenyl)-2-(4-fluorophenyl)sulfonylprop-2-enenitrile Traditional Name: (E)-3-(3-bromo-4,5-dihydroxy-phenyl)-2-(4-fluorophenyl)sulfonyl-acrylonitrile Formula: C15H9BrFNO4S MolecularWeight: 398.203663

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1F)S(=O)(=O)C(=CC2=CC(=C(C(=C2)Br)O)O)C#N

Isomeric SMILES

C1=CC(=CC=C1F)S(=O)(=O)/C(=C/C2=CC(=C(C(=C2)Br)O)O)/C#N

InChI

InChI=1S/C15H9BrFNO4S/c16-13-6-9(7-14(19)15(13)20)5-12(8-18)23(21,22)11-3-1-10(17)2-4-11/h1-7,19-20H/b12-5+