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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzodioxoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodioxoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzodioxoles
Alternative Parents
Thiophene carboxamides 2,3,5-trisubstituted thiophenes 2-heteroaryl carboxamides N-alkylpiperazines Aralkylamines Benzenoids Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Amino acids and derivatives Oxacyclic compounds Acetals Azacyclic compounds Hydrocarbon derivatives Hydrochlorides Organic chloride salts Organic oxides Organopnictogen compounds
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