2-cyano-3-[(4-methylsulfinylphenyl)-oxidanyl-methyl]pentanamide

Systemtic Name: 2-cyano-3-[(4-methylsulfinylphenyl)-oxidanyl-methyl]pentanamide Openeye Name: 2-cyano-3-[hydroxy-(4-methylsulfinylphenyl)methyl]pentanamide CAS Name: 2-cyano-3-[hydroxy-(4-methylsulfinylphenyl)methyl]pentanamide IUPAC Name: 2-cyano-3-[hydroxy-(4-methylsulfinylphenyl)methyl]pentanamide Traditional Name: 2-cyano-3-[hydroxy-(4-methylsulfinylphenyl)methyl]valeramide Formula: C14H18N2O3S MolecularWeight: 294.36932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O3S/c1-3-11(12(8-15)14(16)18)13(17)9-4-6-10(7-5-9)20(2)19/h4-7,11-13,17H,3H2,1-2H3,(H2,16,18)