Structure Information
Structure

Compound Identification

SMILES

CN(C)C1=CC=C(C=C1)P(C[C@@H]1C[C@H](CN1C(=O)OC(C)(C)C)OS(=O)(=O)C1=CC=C(C)C=C1)C1=CC=C(C=C1)N(C)C

InChIKey

InChIKey=XXBSVAWMQBMBEY-WUFINQPMSA-N

Formula

C33H44N3O5PS

Mass

625.76

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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 - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Toluene - Organosulfonic acid ester - Carbamic acid ester - Pyrrolidine - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Phosphine - Tertiary amine - Organoheterocyclic compound - Azacycle - Organic oxide - Organic nitrogen compound - Amine - Organosulfur compound - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - 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

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