Compound Identification
SMILES
CCCN1C(N)=C(NC(=O)C2=CC=C(C=C2)S(=O)(=O)OC2=CC=CC(=C2)[N+]([O-])=O)C(=O)N(CCC)C1=O
InChIKey
InChIKey=WDTKOTBKGHBFEQ-UHFFFAOYSA-N
Formula
C23H25N5O8S
Mass
531.54
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 Benzamides Benzenesulfonyl compounds Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Phenoxy compounds Pyrimidones Aminopyrimidines and derivatives Organosulfonic acid esters Hydropyrimidines Vinylogous amides Sulfonyls Heteroaromatic compounds Ureas Amino acids and derivatives Lactams Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Hydrocarbon derivatives Organic salts Organic zwitterions Organooxygen compounds Primary amines Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonate ester - Nitrobenzene - Benzoic acid or derivatives - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Benzamide - Benzoyl - Phenoxy compound - Nitroaromatic compound - Aminopyrimidine - Pyrimidone - Hydropyrimidine - Pyrimidine - Organosulfonic acid ester - Sulfonyl - Vinylogous amide - Organic sulfonic acid or derivatives - Heteroaromatic compound - Organosulfonic acid or derivatives - Amino acid or derivatives - Carboxamide group - Organic nitro compound - Lactam - C-nitro compound - Secondary carboxylic acid amide - Urea - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxoazanium - Organic nitrogen compound - Organic oxide - Amine - Organic zwitterion - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - 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