Compound Identification
SMILES
CCN(C1=CC=C(C=C1)S(O)(=O)=O)S(=O)(=O)C1=CC(=O)C2=C(NNC3=CC=CC=C3S(=O)(=O)OC3=CC=C(C=C3)N(Cl)C(C)=O)C(=N)C=CC2=C1
InChIKey
InChIKey=DIOAPGDPNYNGKN-UHFFFAOYSA-N
Formula
C32H28ClN5O10S3
Mass
774.23
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
Sulfanilides Acetanilides 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Phenylhydrazines Phenoxy compounds Organosulfonic acid esters Organosulfonamides Organic sulfonamides Vinylogous amides Acetamides Organosulfonic acids Aminosulfonyl compounds Ketimines Ketones Organic oxides Hydrazines and derivatives Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Benzenesulfonate ester - Acetanilide - Sulfanilide - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Anilide - 1-sulfo,2-unsubstituted aromatic compound - Phenoxy compound - Phenylhydrazine - Organic sulfonic acid amide - Organosulfonic acid amide - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Acetamide - Organosulfonic acid or derivatives - Vinylogous amide - Aminosulfonyl compound - Organosulfonic acid - Sulfonyl - Ketone - Ketimine - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Hydrazine derivative - Imine - Aromatic homopolycyclic 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