Compound Identification
SMILES
CC1=CC2=C(C=C1)S(=O)(=O)CC(C)(C)[C@H](O)[C@@H]2C1=CC(N)=CC=C1
InChIKey
InChIKey=BXPLNSZPFOPBLP-QZTJIDSGSA-N
Formula
C19H23NO3S
Mass
345.46
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzothiepins
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiepins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzothiepins
Alternative Parents
Aniline and substituted anilines Sulfones Secondary alcohols Primary amines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiepin - Aniline or substituted anilines - Monocyclic benzene moiety - Benzenoid - Sulfone - Secondary alcohol - Organic oxide - Alcohol - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzothiepins. These are organic compounds containing a benzene fused to a thiepine ring (a seven-membered ring with six carbon atoms and one sulfur atom).
External Descriptors
Not available