2-cyclopropylcarbonyl-3-(2-methylsulfonylphenyl)-3-oxidanylidene-propanenitrile

Systemtic Name: 2-cyclopropylcarbonyl-3-(2-methylsulfonylphenyl)-3-oxidanylidene-propanenitrile Openeye Name: 2-(cyclopropanecarbonyl)-3-(2-methylsulfonylphenyl)-3-oxo-propanenitrile CAS Name: 2-[cyclopropyl(oxo)methyl]-3-(2-methylsulfonylphenyl)-3-oxopropanenitrile IUPAC Name: 2-(cyclopropanecarbonyl)-3-(2-methylsulfonylphenyl)-3-oxopropanenitrile Traditional Name: 2-(cyclopropanecarbonyl)-3-keto-3-(2-mesylphenyl)propionitrile Formula: C14H13NO4S MolecularWeight: 291.32232

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)C(C#N)C(=O)C2CC2

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)C(C#N)C(=O)C2CC2

InChI

InChI=1S/C14H13NO4S/c1-20(18,19)12-5-3-2-4-10(12)14(17)11(8-15)13(16)9-6-7-9/h2-5,9,11H,6-7H2,1H3