Compound Identification
SMILES
OC1=CC=C(C=C1)C1CNCCC2=C(Cl)C(OS(O)(=O)=O)=C(O)C=C12
InChIKey
InChIKey=ZPCLCNLBBOSQBE-UHFFFAOYSA-N
Formula
C16H16ClNO6S
Mass
385.82
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzazepines
Alternative Parents
Arylsulfates Halophenols Azepines Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Sulfuric acid monoesters Benzene and substituted derivatives Aryl chlorides Dialkylamines Azacyclic compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzazepine - Arylsulfate - 3-halophenol - 1-hydroxy-2-unsubstituted benzenoid - Azepine - Aralkylamine - Phenol - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Sulfuric acid ester - Sulfate-ester - Sulfuric acid monoester - Organic sulfuric acid or derivatives - Azacycle - Secondary aliphatic amine - Secondary amine - Organohalogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzazepines. These are organic compounds containing a benzene ring fused to an azepine ring (unsaturated seven-membered heterocycle with one nitrogen atom replacing a carbon atom).
External Descriptors
Not available