Compound Identification
SMILES
CC1(C)SC(N\N=C/C2=CC=C(OS(=O)(=O)C3=CC=C(Br)C=C3)C=C2)=NC1=O
InChIKey
InChIKey=ORJHSNFUZJVRRB-JAIQZWGSSA-N
Formula
C18H16BrN3O4S2
Mass
482.37
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
Arylsulfonic acids and derivatives Benzenesulfonyl compounds Phenoxy compounds Bromobenzenes Organosulfonic acid esters Aryl bromides Sulfonyls Thiazolines N-acylimines Carboxylic acids and derivatives Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonate ester - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Phenoxy compound - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Organosulfonic acid ester - Meta-thiazoline - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - N-acylimine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Aromatic heteromonocyclic 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