Compound Identification
SMILES
CC1=C(Cl)C(Cl)=C(N1)C(=O)N[C@@H]1CCN(C[C@@H]1COS(=O)(=O)C1=CC=C(C)C=C1)C(=O)OC(C)(C)C
InChIKey
InChIKey=SRNUJHPDVQPOJN-SJLPKXTDSA-N
Formula
C24H31Cl2N3O6S
Mass
560.49
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 Piperidinecarboxylic acids Arylsulfonic acids and derivatives Benzenesulfonyl compounds 2-heteroaryl carboxamides Pyrrole carboxamides Substituted pyrroles Organosulfonic acid esters Aryl chlorides Vinylogous halides Sulfonyls Carbamate esters Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
P-methylbenzenesulfonate - Benzenesulfonate ester - Tosyl compound - Piperidinecarboxylic acid - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Pyrrole-2-carboxylic acid or derivatives - Pyrrole-2-carboxamide - 2-heteroaryl carboxamide - Toluene - Aryl halide - Substituted pyrrole - Organosulfonic acid ester - Piperidine - Aryl chloride - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Carbamic acid ester - Pyrrole - Vinylogous halide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organosulfur compound - Organic nitrogen compound - Organic oxygen 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