Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC1=C(\C=N\NC(=O)C2=CC=C(Cl)C=C2)C=C(Br)C=C1
InChIKey
InChIKey=SDIFSOJUBADNKC-ZMOGYAJESA-N
Formula
C21H16BrClN2O4S
Mass
507.78
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
-
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 4-halobenzoic acids and derivatives Arylsulfonic acids and derivatives Benzenesulfonyl compounds Phenoxy compounds Benzoyl derivatives Bromobenzenes Chlorobenzenes Aryl bromides Aryl chlorides Organosulfonic acid esters Sulfonyls Carboxylic acids and derivatives Organochlorides Organonitrogen compounds Organooxygen compounds Organobromides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
P-methylbenzenesulfonate - Benzenesulfonate ester - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Tosyl compound - Benzoic acid or derivatives - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Phenoxy compound - Benzoyl - Toluene - Halobenzene - Chlorobenzene - Bromobenzene - Aryl chloride - Aryl bromide - Organosulfonic acid ester - Aryl halide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid derivative - Organobromide - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Aromatic homomonocyclic 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