Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)S(O)(=O)=O.CN1C2CCC1CC(C2)OC1=NN=C(S1)C1=CC2=C(C=CN2)C=C1

InChIKey

InChIKey=POCSJMRXGNQSHW-UHFFFAOYSA-N

Formula

C25H28N4O4S2

Mass

512.64

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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 - Indole - Benzenesulfonyl group - Indole or derivatives - Tropane alkaloid - 1-sulfo,2-unsubstituted aromatic compound - Alkyl aryl ether - Toluene - Piperidine - N-alkylpyrrolidine - Azole - Heteroaromatic compound - Pyrrole - Pyrrolidine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Thiadiazole - Tertiary amine - Tertiary aliphatic amine - Ether - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Amine - Organosulfur compound - Organooxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - 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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