Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=C(CN([C@@H](COS(=O)(=O)C2=CC=CC=C2)CC2=CC=CC=C2)S(=O)(=O)C2=CC=CS2)C=C(C=C1)C#N

InChIKey

InChIKey=AIMZLUTZSFXJRW-XMMPIXPASA-N

Formula

C27H23N3O7S3

Mass

597.68

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

Benzenesulfonate ester - Amphetamine or derivatives - Arylsulfonic acid or derivatives - Nitrobenzene - Benzenesulfonyl group - Nitroaromatic compound - Benzonitrile - Organosulfonic acid amide - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Heteroaromatic compound - Organosulfonic acid or derivatives - Sulfonyl - Thiophene - Aminosulfonyl compound - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Carbonitrile - Nitrile - Organic oxoazanium - Organic salt - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Cyanide - 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