Structure Information
Structure

Compound Identification

SMILES

ClC1=CC=CC(CN2C3=C(C=CC(=C3)C(=O)NCCC[NH+]3CCCC3)S(=O)(=O)C3=CC=CC=C3C2=O)=C1

InChIKey

InChIKey=YLMYHBPVUOCIDM-UHFFFAOYSA-O

Formula

C28H29ClN3O4S

Mass

539.07

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzothiazepines

Subclass

Dibenzothiazepines

Intermediate Tree Nodes

Not available

Direct Parent

Dibenzothiazepines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Dibenzothiazepine - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - Pyrrolidine - Tertiary carboxylic acid amide - Quaternary ammonium salt - Sulfone - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Amino acid or derivatives - Lactam - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organohalogen compound - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as dibenzothiazepines. These are compounds containing a dibenzothiazepine moiety, which consists of two benzene connected by a thiazepine ring.

External Descriptors

Not available

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