Compound Identification
SMILES
CS([O-])(=O)=O.COC1=C(OC)C=C2C(CC3=CC(Cl)=C(Cl)C=C3)=C[NH+]=CC2=C1
InChIKey
InChIKey=XKBZAQHBLDGTCE-UHFFFAOYSA-N
Formula
C19H19Cl2NO5S
Mass
444.32
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Isoquinolines and derivatives
- Subclass Benzylisoquinolines
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Class
Isoquinolines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoquinolines and derivatives
Subclass
Benzylisoquinolines
Intermediate Tree Nodes
Not available
Direct Parent
Benzylisoquinolines
Alternative Parents
Anisoles Dichlorobenzenes Alkyl aryl ethers Pyridinium derivatives Aryl chlorides Sulfonyls Organosulfonic acids Alkanesulfonic acids Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic salts Organochlorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Not available
Substituents
Benzylisoquinoline - Anisole - 1,2-dichlorobenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Pyridinium - Benzenoid - Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Azacycle - Ether - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Organic salt - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzylisoquinolines. These are organic compounds containing an isoquinoline to which a benzyl group is attached.
External Descriptors
Not available