2-(2-chloranyl-4-methylsulfonyl-phenyl)carbonyl-3-oxidanylidene-hexanenitrile

Systemtic Name: 2-(2-chloranyl-4-methylsulfonyl-phenyl)carbonyl-3-oxidanylidene-hexanenitrile Openeye Name: 2-(2-chloro-4-methylsulfonyl-benzoyl)-3-oxo-hexanenitrile CAS Name: 2-[(2-chloro-4-methylsulfonylphenyl)-oxomethyl]-3-oxohexanenitrile IUPAC Name: 2-(2-chloro-4-methylsulfonylbenzoyl)-3-oxohexanenitrile Traditional Name: 2-(2-chloro-4-mesyl-benzoyl)-3-keto-hexanenitrile Formula: C14H14ClNO4S MolecularWeight: 327.78326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14ClNO4S/c1-3-4-13(17)11(8-16)14(18)10-6-5-9(7-12(10)15)21(2,19)20/h5-7,11H,3-4H2,1-2H3