Compound Identification
SMILES
COC1=C(OS(=O)(=O)C2=CC=CC=C2[N+]([O-])=O)C=CC(C=NNC2=CC(=NC(=N2)N(C)C)N(C)C)=C1
InChIKey
InChIKey=PDZJIEKNBDVURF-UHFFFAOYSA-N
Formula
C22H25N7O6S
Mass
515.55
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 Nitrobenzenes Anisoles Dialkylarylamines Methoxybenzenes Nitroaromatic compounds Phenoxy compounds Alkyl aryl ethers Aminopyrimidines and derivatives Imidolactams Organosulfonic acid esters Sulfonyls Heteroaromatic compounds Azacyclic compounds Hydrazones Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonate ester - Nitrobenzene - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Phenol ether - Dialkylarylamine - Methoxybenzene - Phenoxy compound - Nitroaromatic compound - Anisole - Alkyl aryl ether - Aminopyrimidine - Organosulfonic acid ester - Imidolactam - Pyrimidine - Organosulfonic acid or derivatives - Heteroaromatic compound - Organic sulfonic acid or derivatives - Sulfonyl - Organic nitro compound - C-nitro compound - Ether - Hydrazone - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic zwitterion - 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