Structure Information
Structure

Compound Identification

SMILES

O[C@H](CF)CN1CCN(CC[C@H](CSC2=CC=CC=C2)NC2=C(C=C(C=C2)S(=O)(=O)N(C=O)C2=CC=C(C=C2)N2CCC(CC2)C(O)C2=CC=CC=C2C2=CC=C(Cl)C=C2)S(=O)(=O)C(F)(F)F)CC1

InChIKey

InChIKey=BJCPUBUDFWEHRZ-NFOQWNAWSA-N

Formula

C49H54ClF4N5O7S3

Mass

1032.62

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Biphenyls and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Chlorinated biphenyls

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Chlorinated biphenyl - Phenylpiperidine - Aminobenzenesulfonamide - Sulfanilide - Benzenesulfonamide - Anilide - Benzenesulfonyl group - Aryl thioether - Thiophenol ether - Phenylalkylamine - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Chlorobenzene - Secondary aliphatic/aromatic amine - Aralkylamine - Alkylarylthioether - Halobenzene - N-alkylpiperazine - Aryl chloride - Aryl halide - 1,4-diazinane - Piperazine - Piperidine - Aminosulfonyl compound - Sulfone - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Halohydrin - Trihalomethane - Fluorohydrin - 1,2-aminoalcohol - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Sulfenyl compound - Thioether - Carboxylic acid derivative - Secondary amine - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organofluoride - Alkyl fluoride - Organic oxide - Organopnictogen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Alcohol - Organooxygen compound - Organic nitrogen compound - Organosulfur compound - Halomethane - Alkyl halide - Amine - Aromatic alcohol - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as chlorinated biphenyls. These are organic compounds containing at least one chlorine atom attached to either benzene ring of the biphenyl moiety.

External Descriptors

Not available

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