2-chloranyl-2-(4-methylsulfonylphenyl)carbonyl-3-oxidanylidene-hexanenitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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