Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC=C1C=CC1=NC=C(N1CCOS(=O)(=O)C1=CC=C(C)C=C1)[N+]([O-])=O

InChIKey

InChIKey=ABDVADAEQDAKHN-UHFFFAOYSA-N

Formula

C21H21N3O6S

Mass

443.47

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

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

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

P-methylbenzenesulfonate - Benzenesulfonate ester - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Nitroaromatic compound - Anisole - 1,2,5-trisubstituted-imidazole - Phenoxy compound - Trisubstituted imidazole - Methoxybenzene - Styrene - Phenol ether - Nitroimidazole - Alkyl aryl ether - Toluene - Organosulfonic acid ester - N-substituted imidazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Imidazole - Heteroaromatic compound - Sulfonyl - Azole - Organic nitro compound - C-nitro compound - Ether - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic salt - Organopnictogen compound - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - 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

Previous Back Next