[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-(3,4-dicyanophenyl)sulfonylethanoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-(3,4-dicyanophenyl)sulfonylethanoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 2-(3,4-dicyanophenyl)sulfonylacetate CAS Name: 2-(3,4-dicyanophenyl)sulfonylacetic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 2-(3,4-dicyanophenyl)sulfonylacetate Traditional Name: 2-(3,4-dicyanophenyl)sulfonylacetic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C18H11BrN2O5S MolecularWeight: 447.25934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)COC(=O)CS(=O)(=O)C2=CC(=C(C=C2)C#N)C#N)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)COC(=O)CS(=O)(=O)C2=CC(=C(C=C2)C#N)C#N)Br

InChI

InChI=1S/C18H11BrN2O5S/c19-15-4-1-12(2-5-15)17(22)10-26-18(23)11-27(24,25)16-6-3-13(8-20)14(7-16)9-21/h1-7H,10-11H2