2-(2-chloranyl-4-methylsulfonyl-phenyl)carbonyl-4,4-dimethyl-3-oxidanylidene-pentanenitrile

Systemtic Name: 2-(2-chloranyl-4-methylsulfonyl-phenyl)carbonyl-4,4-dimethyl-3-oxidanylidene-pentanenitrile Openeye Name: 2-(2-chloro-4-methylsulfonyl-benzoyl)-4,4-dimethyl-3-oxo-pentanenitrile CAS Name: 2-[(2-chloro-4-methylsulfonylphenyl)-oxomethyl]-4,4-dimethyl-3-oxopentanenitrile IUPAC Name: 2-(2-chloro-4-methylsulfonylbenzoyl)-4,4-dimethyl-3-oxopentanenitrile Traditional Name: 2-(2-chloro-4-mesyl-benzoyl)-3-keto-4,4-dimethyl-valeronitrile Formula: C15H16ClNO4S MolecularWeight: 341.80984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16ClNO4S/c1-15(2,3)14(19)11(8-17)13(18)10-6-5-9(7-12(10)16)22(4,20)21/h5-7,11H,1-4H3