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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Biphenyls and derivatives
- Level 5 Chlorinated biphenyls
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Subclass
Biphenyls and derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
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
N-arylpiperazines Phenylpiperazines Aminobenzenesulfonamides Aminobenzoic acids and derivatives Benzenesulfonyl compounds Nitrobenzenes Phenylmethylamines Phenylalkylamines Dialkylarylamines Thiophenol ethers Benzylamines Aniline and substituted anilines Benzoyl derivatives Nitroaromatic compounds Chlorobenzenes Secondary alkylarylamines N-alkylpiperazines Alkylarylthioethers Aryl chlorides Organosulfonic acids and derivatives Aminosulfonyl compounds Trialkylamines Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Sulfenyl compounds Organopnictogen compounds Organic salts Organic zwitterions Organooxygen compounds Organic oxides Organochlorides Hydrocarbon derivatives
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