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

Systemtic Name: 2-chloranyl-4-methyl-2-(4-methylsulfonylphenyl)carbonyl-3-oxidanylidene-hexanenitrile Openeye Name: 2-chloro-4-methyl-2-(4-methylsulfonylbenzoyl)-3-oxo-hexanenitrile CAS Name: 2-chloro-4-methyl-2-[(4-methylsulfonylphenyl)-oxomethyl]-3-oxohexanenitrile IUPAC Name: 2-chloro-4-methyl-2-(4-methylsulfonylbenzoyl)-3-oxohexanenitrile Traditional Name: 2-chloro-3-keto-2-(4-mesylbenzoyl)-4-methyl-hexanenitrile Formula: C15H16ClNO4S MolecularWeight: 341.80984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16ClNO4S/c1-4-10(2)13(18)15(16,9-17)14(19)11-5-7-12(8-6-11)22(3,20)21/h5-8,10H,4H2,1-3H3