Compound Identification
SMILES
CCCCC1(CCCC)CS(=O)(=O)C2=C(C=C(C=C2)N(C)C)[C@H]([C@H]1O)C1=CC=C(OCC2=CC=C(C[N+]3=CC=CC=C3)C=C2)C=C1
InChIKey
InChIKey=FDSXMTNEXOLLHB-XPSQVAKYSA-N
Formula
C39H49N2O4S
Mass
641.89
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
Phenoxy compounds Phenol ethers Dialkylarylamines Alkyl aryl ethers Pyridinium derivatives Sulfones Heteroaromatic compounds Secondary alcohols Azacyclic compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiepin - Phenoxy compound - Phenol ether - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Alkyl aryl ether - Monocyclic benzene moiety - Pyridine - Benzenoid - Pyridinium - Heteroaromatic compound - Sulfone - Tertiary amine - Secondary alcohol - Ether - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Alcohol - Organic oxide - Organic oxygen compound - Amine - Organic nitrogen compound - Organic cation - 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