Structure Information
Structure

Compound Identification

SMILES

CCOC1=CC=C(NC(=O)CCN2CCN(CC2)S(=O)(=O)C2=CC=C(Cl)C=C2)C=C1

InChIKey

InChIKey=JLBCPCGDAXNQQO-UHFFFAOYSA-N

Formula

C21H26ClN3O4S

Mass

451.97

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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

Beta amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Beta amino acid or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Anilide - Phenoxy compound - Phenol ether - N-arylamide - Alkyl aryl ether - Chlorobenzene - Halobenzene - N-alkylpiperazine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Organosulfonic acid amide - Benzenoid - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Secondary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Organoheterocyclic compound - Azacycle - Ether - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Carbonyl group - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Amine - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.

External Descriptors

Not available

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