2-(4-chloranyl-3-methylsulfonyl-phenyl)carbonyl-3-cyclopropyl-3-oxidanylidene-propanenitrile

Systemtic Name: 2-(4-chloranyl-3-methylsulfonyl-phenyl)carbonyl-3-cyclopropyl-3-oxidanylidene-propanenitrile Openeye Name: 2-(4-chloro-3-methylsulfonyl-benzoyl)-3-cyclopropyl-3-oxo-propanenitrile CAS Name: 2-[(4-chloro-3-methylsulfonylphenyl)-oxomethyl]-3-cyclopropyl-3-oxopropanenitrile IUPAC Name: 2-(4-chloro-3-methylsulfonylbenzoyl)-3-cyclopropyl-3-oxopropanenitrile Traditional Name: 2-(4-chloro-3-mesyl-benzoyl)-3-cyclopropyl-3-keto-propionitrile Formula: C14H12ClNO4S MolecularWeight: 325.76738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)C(C#N)C(=O)C2CC2)Cl

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)C(C#N)C(=O)C2CC2)Cl

InChI

InChI=1S/C14H12ClNO4S/c1-21(19,20)12-6-9(4-5-11(12)15)14(18)10(7-16)13(17)8-2-3-8/h4-6,8,10H,2-3H2,1H3