Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)S(O)(=O)=O.CC(CCNCCSC(=O)C1=CC=CC=C1)=NNC(=O)NC(C)(C)C

InChIKey

InChIKey=LAXRXXPNBKLTLO-UHFFFAOYSA-N

Formula

C25H36N4O5S2

Mass

536.71

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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

Not available

Substituents

P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzoic acid or derivatives - Benzenesulfonyl group - Thiobenzoic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzoyl - Toluene - Semicarbazone - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Semicarbazide - Carbothioic s-ester - Amino acid or derivatives - Thiocarboxylic acid ester - Carboxylic acid derivative - Secondary aliphatic amine - Secondary amine - Sulfenyl compound - Thiocarboxylic acid or derivatives - Organonitrogen compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Aromatic homomonocyclic 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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