4-chloranyl-4-methyl-2-(2-methylsulfonylphenyl)carbonyl-3-oxidanylidene-pentanenitrile

Systemtic Name: 4-chloranyl-4-methyl-2-(2-methylsulfonylphenyl)carbonyl-3-oxidanylidene-pentanenitrile Openeye Name: 4-chloro-4-methyl-2-(2-methylsulfonylbenzoyl)-3-oxo-pentanenitrile CAS Name: 4-chloro-4-methyl-2-[(2-methylsulfonylphenyl)-oxomethyl]-3-oxopentanenitrile IUPAC Name: 4-chloro-4-methyl-2-(2-methylsulfonylbenzoyl)-3-oxopentanenitrile Traditional Name: 4-chloro-3-keto-2-(2-mesylbenzoyl)-4-methyl-valeronitrile Formula: C14H14ClNO4S MolecularWeight: 327.78326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)C(C#N)C(=O)C1=CC=CC=C1S(=O)(=O)C)Cl

Isomeric SMILES

CC(C)(C(=O)C(C#N)C(=O)C1=CC=CC=C1S(=O)(=O)C)Cl

InChI

InChI=1S/C14H14ClNO4S/c1-14(2,15)13(18)10(8-16)12(17)9-6-4-5-7-11(9)21(3,19)20/h4-7,10H,1-3H3