5-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-5-oxidanylidene-pentanenitrile

Systemtic Name: 5-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-5-oxidanylidene-pentanenitrile Openeye Name: 5-(4-chlorophenyl)-5-oxo-2-(p-tolylsulfonyl)pentanenitrile CAS Name: 5-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-5-oxopentanenitrile IUPAC Name: 5-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-5-oxopentanenitrile Traditional Name: 5-(4-chlorophenyl)-5-keto-2-tosyl-valeronitrile Formula: C18H16ClNO3S MolecularWeight: 361.84254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CCC(=O)C2=CC=C(C=C2)Cl)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CCC(=O)C2=CC=C(C=C2)Cl)C#N

InChI

InChI=1S/C18H16ClNO3S/c1-13-2-8-16(9-3-13)24(22,23)17(12-20)10-11-18(21)14-4-6-15(19)7-5-14/h2-9,17H,10-11H2,1H3