Compound Identification
SMILES
OC(=O)\C=C\C([O-])=O.C[NH+](C)CCCC1C2=CC=CC=C2CS(=O)(=O)C2=CC=CC=C12
InChIKey
InChIKey=RNXSDOIOYIQFQE-WLHGVMLRSA-N
Formula
C23H27NO6S
Mass
445.53
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzothiepins
- Subclass Dibenzothiepins
-
Class
Benzothiepins
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiepins
Subclass
Dibenzothiepins
Intermediate Tree Nodes
Not available
Direct Parent
Dibenzothiepins
Alternative Parents
Aralkylamines Unsaturated fatty acids Dicarboxylic acids and derivatives Benzenoids Sulfones Quaternary ammonium salts Trialkylamines Carboxylic acid salts Carboxylic acids Organic zwitterions Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Dibenzothiepin - Aralkylamine - Dicarboxylic acid or derivatives - Unsaturated fatty acid - Benzenoid - Fatty acid - Fatty acyl - Sulfone - Quaternary ammonium salt - Carboxylic acid salt - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Carboxylic acid - Organic oxide - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organic oxygen compound - Organic zwitterion - Carbonyl group - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as dibenzothiepins. These are compounds containing a dibenzothiepin moiety, which consists of two benzene connected by a thiepine ring.
External Descriptors
Not available