Structure Information
Structure

Compound Identification

SMILES

CCCC1=CN=C(N=C1)N1CCC(CC1)C1CC2=C(O1)C=CC(=C2)C1=C(F)C=C(C=C1)S(C)(=O)=O

InChIKey

InChIKey=MDCOIDBGBQWHFK-UHFFFAOYSA-N

Formula

C27H30FN3O3S

Mass

495.61

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzenesulfonyl compounds

Intermediate Tree Nodes

Not available

Direct Parent

Benzenesulfonyl compounds

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzenesulfonyl group - Coumaran - Dialkylarylamine - Alkyl aryl ether - Aminopyrimidine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Piperidine - Pyrimidine - Sulfonyl - Sulfone - Heteroaromatic compound - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Organic oxygen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Amine - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzenesulfonyl compounds. These are aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl group.

External Descriptors

Not available

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