Compound Identification
SMILES
COC1=CC=C(C=C1)S(=O)(=O)NC1=C(NC2=CC=C(OS(=O)(=O)C3=CC=C(OC)C=C3)C=C2)N=CC=C1
InChIKey
InChIKey=SGPXCCFTRBAPQS-UHFFFAOYSA-N
Formula
C25H23N3O7S2
Mass
541.59
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
Benzenesulfonamides Benzenesulfonyl compounds Arylsulfonic acids and derivatives Phenoxy compounds Methoxybenzenes Aniline and substituted anilines Anisoles Alkyl aryl ethers Aminopyridines and derivatives Organosulfonic acid esters Organosulfonamides Imidolactams Aminosulfonyl compounds Heteroaromatic compounds Secondary amines Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonate ester - Benzenesulfonamide - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Phenol ether - Aniline or substituted anilines - Methoxybenzene - Phenoxy compound - Anisole - Alkyl aryl ether - Aminopyridine - Pyridine - Imidolactam - Organosulfonic acid amide - Organosulfonic acid ester - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Heteroaromatic compound - Azacycle - Ether - Organoheterocyclic compound - Secondary amine - Organonitrogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - 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