Structure Information
Structure

Compound Identification

SMILES

CC1=CC(C)=C(C(C)=C1)S(O)(=O)=O.CC(C)(C)C(=O)CN1CC2CN(CCCNC3=CC=C(C=C3)C#N)CC(C1)O2

InChIKey

InChIKey=XWIPJRFIKXRKRD-UHFFFAOYSA-N

Formula

C31H44N4O5S

Mass

584.78

Export to:

JSON SDF CSV

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 - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Benzonitrile - Aniline or substituted anilines - Phenylalkylamine - Secondary aliphatic/aromatic amine - Morpholine - Oxazinane - Alpha-aminoketone - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Ketone - Tertiary aliphatic amine - Tertiary amine - Azacycle - Oxacycle - Dialkyl ether - Ether - Organoheterocyclic compound - Carbonitrile - Nitrile - Secondary amine - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Amine - Cyanide - Organic nitrogen compound - Organic oxide - 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

Previous Back Next