Compound Identification
SMILES
COC(=O)CCCC(=O)NC1=NC2=C(N1)C=C(OS(=O)(=O)C1=CC=C(NC3CCCC3)C=C1)C=C2
InChIKey
InChIKey=SACJIDWWQPWDCB-UHFFFAOYSA-N
Formula
C24H28N4O6S
Mass
500.57
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
Arylsulfonic acids and derivatives Benzenesulfonyl compounds Benzimidazoles Aniline and substituted anilines Phenylalkylamines N-arylamides Secondary alkylarylamines Fatty acid methyl esters Organosulfonic acid esters Fatty amides Sulfonyls Methyl esters Heteroaromatic compounds Imidazoles Amino acids and derivatives Secondary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzenesulfonate ester - Arylsulfonic acid or derivatives - Benzimidazole - Benzenesulfonyl group - N-arylamide - Aniline or substituted anilines - Phenylalkylamine - Fatty acid ester - Secondary aliphatic/aromatic amine - Fatty acid methyl ester - Fatty acyl - Fatty amide - Organosulfonic acid ester - Heteroaromatic compound - Azole - Methyl ester - Imidazole - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxamide group - Carboxylic acid ester - Amino acid or derivatives - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Secondary amine - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Amine - Organic oxide - Carbonyl group - Organic oxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - 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