Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C[S@](=O)CC2=CC=C(O2)C(=O)NCC2=CC(Cl)=CC=C2)C=C1

InChIKey

InChIKey=LPLURVNNBILJMR-MHZLTWQESA-N

Formula

C21H20ClNO3S

Mass

401.91

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzyl sulfoxides

Intermediate Tree Nodes

Not available

Direct Parent

Benzyl alkyl sulfoxides

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Benzyl alkyl sulfoxide - 2-heteroaryl carboxamide - Furoic acid or derivatives - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Furan - Heteroaromatic compound - Sulfoxide - Secondary carboxylic acid amide - Carboxamide group - Sulfinyl compound - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organosulfur compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as benzyl alkyl sulfoxides. These are organosulfur compounds that contain a sulfoxide group substituted by a benzyl group, and an alkyl group. They have the general structure RS(=O)R' ( R=benzyl, R'=alkyl).

External Descriptors

Not available

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