(2E)-2-[[(3-methylsulfonylphenyl)amino]-oxidanyl-methylidene]-3-oxidanylidene-butanenitrile

Systemtic Name: (2E)-2-[[(3-methylsulfonylphenyl)amino]-oxidanyl-methylidene]-3-oxidanylidene-butanenitrile Openeye Name: (2E)-2-[hydroxy-(3-methylsulfonylanilino)methylene]-3-oxo-butanenitrile CAS Name: (2E)-2-[hydroxy-(3-methylsulfonylanilino)methylidene]-3-oxobutanenitrile IUPAC Name: (2E)-2-[hydroxy-(3-methylsulfonylanilino)methylidene]-3-oxobutanenitrile Traditional Name: (E)-2-acetyl-3-hydroxy-3-(3-mesylanilino)acrylonitrile Formula: C12H12N2O4S MolecularWeight: 280.29968

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(NC1=CC(=CC=C1)S(=O)(=O)C)O)C#N

Isomeric SMILES

CC(=O)/C(=C(\NC1=CC(=CC=C1)S(=O)(=O)C)/O)/C#N

InChI

InChI=1S/C12H12N2O4S/c1-8(15)11(7-13)12(16)14-9-4-3-5-10(6-9)19(2,17)18/h3-6,14,16H,1-2H3/b12-11+