Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=CSSFRJQQEHKPMJ-IWRRLZQWSA-N

Formula

C50H56ClF4N5O9S3

Mass

1078.65

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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

Not available

Substituents

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