Compound Identification
SMILES
CCn1c(C(=O)NC)c(C(=O)NC)[n+](CC)c1OS(=O)(=O)c1ccccc1
InChIKey
InChIKey=MPPXGDQPLGORQW-UHFFFAOYSA-O
Formula
C17H23N4O5S
Mass
395.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
Arylsulfonic acids and derivatives Benzenesulfonyl compounds 2-heteroaryl carboxamides Carbonylimidazoles Organosulfonic acid esters N-substituted imidazoles Sulfonyls Heteroaromatic compounds Vinylogous amides Secondary carboxylic acid amides Azacyclic compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonate ester - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 2-heteroaryl carboxamide - Imidazole-4-carbonyl group - N-substituted imidazole - Organosulfonic acid ester - Heteroaromatic compound - Azole - Vinylogous amide - Imidazole - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic cation - 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