Compound Identification
SMILES
CCNC(=O)NC1=NC2=C(N1)C=C(OS(=O)(=O)C1=CC=C(NC3CCCC3)C=C1)C=C2
InChIKey
InChIKey=SZUDSUHEGJFCKR-UHFFFAOYSA-N
Formula
C21H25N5O4S
Mass
443.52
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzenesulfonic acids and derivatives
- Level 5 Benzenesulfonate esters
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Subclass
Benzenesulfonic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzenesulfonate esters
Alternative Parents
Benzimidazoles Benzenesulfonyl compounds Arylsulfonic acids and derivatives Phenylalkylamines Aniline and substituted anilines Secondary alkylarylamines Organosulfonic acid esters Sulfonyls Imidazoles Heteroaromatic compounds Ureas Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzenesulfonate ester - Arylsulfonic acid or derivatives - Benzimidazole - Benzenesulfonyl group - Aniline or substituted anilines - Phenylalkylamine - Secondary aliphatic/aromatic amine - Organosulfonic acid ester - Azole - Imidazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Heteroaromatic compound - Urea - Secondary amine - Organoheterocyclic compound - Azacycle - Amine - Organic nitrogen compound - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzenesulfonate esters. These are arenesulfonate esters that result from the formal condensation of the hydroxy group of an alcohol, enol, phenol or heteroarenol with benzenesulfonic acid.
External Descriptors
Not available