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Structure Information
Structure

Compound Identification

SMILES

OC(=O)CCCCNS(=O)(=O)C1=CC=CC=C1C#N

InChIKey

InChIKey=JCLCYSZOELSXQU-UHFFFAOYSA-N

Formula

C12H14N2O4S

Mass

282.31

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Subclass

Amino acids, peptides, and analogues

Intermediate Tree Nodes

Amino acids and derivatives

Direct Parent

Delta amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Delta amino acid or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Benzonitrile - Monocyclic benzene moiety - Organosulfonic acid amide - Benzenoid - Aminosulfonyl compound - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Cyanide - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as delta amino acids and derivatives. These are compounds containing a carboxylic acid group and an amino group at the C5 carbon atom.

External Descriptors

Not available

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