Compound Identification
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC1=C(Br)C=C(C=NNC(N)=S)C=C1
InChIKey
InChIKey=MNNDIVIMXVXPDN-UHFFFAOYSA-N
Formula
C16H15BrN4O4S2
Mass
471.34
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
-
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
Acetanilides Arylsulfonic acids and derivatives Benzenesulfonyl compounds N-acetylarylamines Phenoxy compounds Bromobenzenes Organosulfonic acid esters Aryl bromides Thiosemicarbazones Acetamides Sulfonyls Secondary carboxylic acid amides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonate ester - Acetanilide - N-acetylarylamine - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Anilide - Phenoxy compound - N-arylamide - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Thiosemicarbazone - Organosulfonic acid ester - Acetamide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organohalogen compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organobromide - 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