Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)S(=O)(=O)N1C=C2CC3NC(=O)COC3C3=C2C1=CC=C3

InChIKey

InChIKey=OTKIDRROOFGKOF-UHFFFAOYSA-N

Formula

C20H18N2O4S

Mass

382.43

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Oxaergolines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Oxaergolines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Oxaergoline skeleton - Benzenesulfonamide - Tosyl compound - 3-alkylindole - Indole - Indole or derivatives - Benzenesulfonyl group - Isoindole or derivatives - Toluene - Monocyclic benzene moiety - Morpholine - Oxazinane - Substituted pyrrole - Benzenoid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Heteroaromatic compound - Pyrrole - Carboxamide group - Lactam - Secondary carboxylic acid amide - Organoheterocyclic compound - Ether - Dialkyl ether - Carboxylic acid derivative - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organosulfur compound - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as oxaergolines. These are alkaloids with a structure based on the oxaergoline skeleton, an analog of ergoline obtained by substituted one of the pyridine C atom by an oxygen atom.

External Descriptors

Not available

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