Compound Identification
SMILES
CCCCN(CCCC)C1=NC=CC(=N1)C1=C(C=C(C=C1)C(=O)NS(=O)(=O)C1=CC2=C(C=CC=C2Cl)C=C1)C(=O)N1CC2=CC=CC=C2C[C@H]1CO
InChIKey
InChIKey=SBEMICJJKMLSHR-HKBQPEDESA-N
Formula
C40H42ClN5O5S
Mass
740.32
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
2-naphthalene sulfonamides 2-naphthalene sulfonic acids and derivatives Phenylpyrimidines Chloronaphthalenes Tetrahydroisoquinolines Benzamides Benzoyl derivatives Dialkylarylamines Aminopyrimidines and derivatives Aryl chlorides Tertiary carboxylic acid amides Organosulfonic acids and derivatives Aminosulfonyl compounds Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzylisoquinoline - Naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonic acid or derivatives - Naphthalene sulfonamide - 2-naphthalene sulfonamide - 4-phenylpyrimidine - 5-phenylpyrimidine - Chloronaphthalene - Naphthalene - Tetrahydroisoquinoline - Benzamide - Benzoic acid or derivatives - Benzoyl - Dialkylarylamine - Aminopyrimidine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Aminosulfonyl compound - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Alcohol - Primary alcohol - 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