5-oxidanylidene-2-phenyl-2-propan-2-ylsulfonyl-pentanenitrile

Systemtic Name: 5-oxidanylidene-2-phenyl-2-propan-2-ylsulfonyl-pentanenitrile Openeye Name: 2-isopropylsulfonyl-5-oxo-2-phenyl-pentanenitrile CAS Name: 5-oxo-2-phenyl-2-propan-2-ylsulfonylpentanenitrile IUPAC Name: 5-oxo-2-phenyl-2-propan-2-ylsulfonylpentanenitrile Traditional Name: 2-isopropylsulfonyl-5-keto-2-phenyl-valeronitrile Formula: C14H17NO3S MolecularWeight: 279.35468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO3S/c1-12(2)19(17,18)14(11-15,9-6-10-16)13-7-4-3-5-8-13/h3-5,7-8,10,12H,6,9H2,1-2H3