Structure Information
Structure

Compound Identification

SMILES

COC1(Cl)C(C)C(=NC=C1C)C(NC(=O)OC(C)(C)C)(NC(=O)OC(C)(C)C)C1=NC2=NNC(CCC3=C(C=CC(C)=C3)S(O)(=O)=O)=C2C=N1

InChIKey

InChIKey=AWFJOVZJGGZHMH-UHFFFAOYSA-N

Formula

C33H44ClN7O8S

Mass

734.27

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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

p-Methylbenzenesulfonates

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

P-methylbenzenesulfonate - Arylsulfonic acid or derivatives - Pyrazolo[3,4-d]pyrimidine - Pyrazolopyrimidine - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Dihydropyridine - Toluene - Hydropyridine - Pyrimidine - Heteroaromatic compound - Carbamic acid ester - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azole - Pyrazole - Ketimine - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Dialkyl ether - Ether - Hydrocarbon derivative - Organochloride - Organohalogen compound - Organonitrogen compound - Imine - Alkyl chloride - Organooxygen compound - Organic oxygen compound - Organosulfur compound - Carbonyl group - Organic oxide - Organic nitrogen compound - Alkyl halide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as p-methylbenzenesulfonates. These are benzenesulfonic acids (or derivative thereof) carrying a methyl group at the para- position.

External Descriptors

Not available

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