Structure Information
Structure

Compound Identification

SMILES

CC[C@H](CSC1=CC=CC(=C1)N(C)C)NC1=C(C=C(C=C1)S(=O)(=O)NC(=O)C1=CC=C(C=C1)N1CCN(CC2=CC=CC=C2C2=CC=C(Cl)C=C2)CC1)[N+]([O-])=O

InChIKey

InChIKey=GQECAIQSSHKKHY-UUWRZZSWSA-N

Formula

C42H45ClN6O5S2

Mass

813.43

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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 - Phenylpiperazine - N-arylpiperazine - Aminobenzenesulfonamide - Aminobenzoic acid or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Nitrobenzene - Benzoic acid or derivatives - Thiophenol ether - Aryl thioether - Phenylmethylamine - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - Benzylamine - Dialkylarylamine - Aniline or substituted anilines - Phenylalkylamine - Benzoyl - Chlorobenzene - Alkylarylthioether - Aralkylamine - N-alkylpiperazine - Secondary aliphatic/aromatic amine - Halobenzene - 1,4-diazinane - Aryl halide - Piperazine - Aryl chloride - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Organic nitro compound - C-nitro compound - Secondary amine - Thioether - Sulfenyl compound - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Carboxylic acid derivative - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Amine - Organic zwitterion - Organic salt - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - 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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