Structure Information
Structure

Compound Identification

SMILES

CCS(O)(=O)=O.CC1(C)N=C(N)N=C(N)N1C1=CC(Cl)=C(OCC2=CC=C(C=C2)S(=O)(=O)OC2=CC=CC=C2C#N)C=C1

InChIKey

InChIKey=LWBMUEHTRPVYGZ-UHFFFAOYSA-N

Formula

C27H29ClN6O7S2

Mass

649.13

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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

Not available

Substituents

Benzenesulfonate ester - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Phenoxy compound - Phenol ether - Benzonitrile - Halobenzene - Chlorobenzene - Aminotriazine - Alkyl aryl ether - 1,3,5-triazine - Triazine - Organosulfonic acid ester - Aryl halide - Aryl chloride - Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Guanidine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Nitrile - Carbonitrile - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Imine - 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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