Compound Identification
SMILES
CN1C2=CC=CC=C2C2=C1[C@@H]1CCC3(C#N)[C@H](C2)OS(=O)(=O)C=C(O)N13
InChIKey
InChIKey=VQWXRFWORARAIQ-INHRHCAVSA-N
Formula
C18H17N3O4S
Mass
371.41
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Pyrroloazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrroloazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyrroloazepines
Alternative Parents
3-alkylindoles N-alkylindoles Azepines Sulfonic acid esters Benzenoids N-methylpyrroles Organosulfonic acid esters Heteroaromatic compounds Pyrrolidines Azacyclic compounds Oxacyclic compounds Alkanolamines Nitriles Hydrocarbon derivatives Organic oxides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-alkylindole - Pyrroloazepine - 3-alkylindole - Indole - Indole or derivatives - Azepine - N-methylpyrrole - Benzenoid - Organosulfonic acid ester - Sulfonic acid ester - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Pyrrolidine - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Alkanolamine - Carbonitrile - Nitrile - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Cyanide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrroloazepines. These are compounds containing a pyrroloazepine moiety, which is a bicyclic heterocycle which consists of a pyrrole ring fused to an azepine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Azepine is a 7-membered ring consisting of six carbon and one nitrogen atom.
External Descriptors
Not available