Compound Identification
SMILES
CCCC1=NN2C(S1)=NC(=O)C(=CC1=C(OS(=O)(=O)C3=CC=C(C)C=C3)C=CC(Br)=C1)C2=N
InChIKey
InChIKey=SVVKIPVRAYXTFC-UHFFFAOYSA-N
Formula
C22H19BrN4O4S2
Mass
547.44
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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
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Class
Benzene and substituted derivatives
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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
p-Methylbenzenesulfonates Tosyl compounds Arylsulfonic acids and derivatives Benzenesulfonyl compounds Phenoxy compounds Pyrimidones Bromobenzenes Aryl bromides Organosulfonic acid esters Imidolactams Hydropyrimidines Thiadiazolines Sulfonyls N-acylimines Carboxylic acids and derivatives Amidines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carbonyl compounds Organic oxides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
P-methylbenzenesulfonate - Benzenesulfonate ester - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Phenoxy compound - Toluene - Bromobenzene - Halobenzene - Pyrimidone - Aryl halide - Hydropyrimidine - Imidolactam - 1,4,5,6-tetrahydropyrimidine - Pyrimidine - Organosulfonic acid ester - Aryl bromide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Thiadiazoline - Sulfonyl - N-acylimine - Propargyl-type 1,3-dipolar organic compound - Amidine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organic oxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organic nitrogen compound - 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