Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyrroloazepines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Pyrroloazepines

Alternative Parents

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

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