Compound Identification
SMILES
[O-]C(=O)C1=CC(NS(=O)(=O)C2=CC=C(Cl)C=C2)=C(C=C1)N1CC2CC(C1)C1=CC=CC(=O)N1C2
InChIKey
InChIKey=VIBJDUDKKDGIDD-UHFFFAOYSA-M
Formula
C24H21ClN3O5S
Mass
498.96
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
-
Class
Lupin alkaloids
- Subclass Cytisine and derivatives
-
Class
Lupin alkaloids
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Lupin alkaloids
Subclass
Cytisine and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Cytisine and derivatives
Alternative Parents
Phenylpiperidines Sulfanilides Benzenesulfonamides Aminobenzoic acids Benzenesulfonyl compounds Benzoic acids Benzoyl derivatives Aniline and substituted anilines Dialkylarylamines Pyridinones Chlorobenzenes Aralkylamines Organosulfonamides Aryl chlorides Aminosulfonyl compounds Heteroaromatic compounds Carboxylic acid salts Lactams Amino acids Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organic oxides Organooxygen compounds Organochlorides Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cytisine - Phenylpiperidine - Aminobenzoic acid - Aminobenzoic acid or derivatives - Benzenesulfonamide - Sulfanilide - Benzenesulfonyl group - Benzoic acid or derivatives - Benzoic acid - Tertiary aliphatic/aromatic amine - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Halobenzene - Pyridinone - Aralkylamine - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Piperidine - Pyridine - Organosulfonic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Heteroaromatic compound - Amino acid or derivatives - Tertiary amine - Amino acid - Lactam - Carboxylic acid salt - Organoheterocyclic compound - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organic nitrogen compound - Amine - Organochloride - Organonitrogen compound - Organic anion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cytisine and derivatives. These are lupin alkaloids with a structure based on the cytisine skeleton, which is a tetracyclic ketone containing fused pyridine and piperidine rings that form pyrido[1,2a][1,5]diazocin-8-one.
External Descriptors
Not available