Compound Identification
SMILES
CC(=O)NC1=CC=CC=C1S(=O)(=O)OC1=C(I)C=C(Cl)C2=C1N=CC=C2
InChIKey
InChIKey=JMTNKICQECJLNE-UHFFFAOYSA-N
Formula
C17H12ClIN2O4S
Mass
502.71
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
Chloroquinolines Acetanilides N-acetylarylamines Arylsulfonic acids and derivatives Benzenesulfonyl compounds Pyridines and derivatives Organosulfonic acid esters Aryl chlorides Aryl iodides Sulfonyls Acetamides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organoiodides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Haloquinoline - Benzenesulfonate ester - Chloroquinoline - Acetanilide - Quinoline - N-acetylarylamine - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Anilide - N-arylamide - Aryl chloride - Aryl halide - Aryl iodide - Pyridine - Organosulfonic acid ester - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Acetamide - Sulfonyl - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organoiodide - Organochloride - Organohalogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - 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