Structure Information
Structure

Compound Identification

SMILES

[H+].[Cl-].O=C(N1CCN(CC2=CC3=C(OCO3)C=C2)CC1)C1=CC2=C(CCCC2)S1

InChIKey

InChIKey=VJTZSZAWCXYOCB-UHFFFAOYSA-N

Formula

C21H25ClN2O3S

Mass

420.95

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzodioxoles

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzodioxoles

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzodioxole - 2-heteroaryl carboxamide - 2,3,5-trisubstituted thiophene - Thiophene carboxylic acid or derivatives - Thiophene carboxamide - N-alkylpiperazine - Aralkylamine - 1,4-diazinane - Piperazine - Benzenoid - Heteroaromatic compound - Thiophene - Tertiary carboxylic acid amide - Tertiary aliphatic amine - Amino acid or derivatives - Tertiary amine - Carboxamide group - Acetal - Carboxylic acid derivative - Oxacycle - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Amine - Organopnictogen compound - Organic oxygen compound - Organic chloride salt - Hydrochloride - Organic salt - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.

External Descriptors

Not available

Previous Back Next