Compound Identification
SMILES
OC1=C(O)C=C(CCN2C(SCCC2=O)C2=CC=CN2S(=O)(=O)C2=CC=CC=C2)C=C1
InChIKey
InChIKey=GRUHFQNQOIRLKS-UHFFFAOYSA-N
Formula
C22H22N2O5S2
Mass
458.55
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenols
-
Subclass
Benzenediols
-
Level 5
Catechols
-
Level 6
Catecholamines and derivatives
- Level 7 N-acyldopamines
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Level 6
Catecholamines and derivatives
-
Level 5
Catechols
-
Subclass
Benzenediols
-
Class
Phenols
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
Benzenediols
Intermediate Tree Nodes
Catechols - Catecholamines and derivatives
Direct Parent
N-acyldopamines
Alternative Parents
Benzenesulfonamides Benzenesulfonyl compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Thiazinanes Substituted pyrroles Tertiary carboxylic acid amides Sulfonyls Organosulfonic acids and derivatives Heteroaromatic compounds Lactams Dialkylthioethers Azacyclic compounds Carbonyl compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyldopamine - Benzenesulfonamide - Benzenesulfonyl group - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Substituted pyrrole - 1,3-thiazinane - Pyrrole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary carboxylic acid amide - Heteroaromatic compound - Carboxamide group - Lactam - Carboxylic acid derivative - Thioether - Dialkylthioether - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyldopamines. These are aromatic heterocyclic compounds containing a dopamine, in which the amine group is acylated.
External Descriptors
Not available