Structure Information
Structure

Compound Identification

SMILES

C[C@@H]1CN(CC2=CC=C(Cl)C=C2)CCN1C(=O)COC1=NC=C(Br)C=C1CCS(O)(=O)=O

InChIKey

InChIKey=XQIDJGWXHBKIRZ-OAHLLOKOSA-N

Formula

C21H25BrClN3O5S

Mass

546.86

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Phenylmethylamines

Intermediate Tree Nodes

Not available

Direct Parent

Phenylmethylamines

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Phenylmethylamine - Benzylamine - Alkyl aryl ether - Halobenzene - Chlorobenzene - N-alkylpiperazine - Aralkylamine - 1,4-diazinane - Aryl bromide - Aryl chloride - Piperazine - Pyridine - Aryl halide - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Tertiary carboxylic acid amide - Alkanesulfonic acid - Heteroaromatic compound - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organosulfur compound - Carbonyl group - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organohalogen compound - Organobromide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.

External Descriptors

Not available

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