Compound Identification
SMILES
CN1[C@@H]2CC3=CN(C4=CC=CC([C@H]2OCC1=O)=C34)S(=O)(=O)C1=CC=C(C)C=C1
InChIKey
InChIKey=RNLUEKBQCKCNCS-WIYYLYMNSA-N
Formula
C21H20N2O4S
Mass
396.46
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Oxaergolines
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Oxaergolines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Oxaergolines
Alternative Parents
Tosyl compounds 3-alkylindoles Benzenesulfonamides Benzenesulfonyl compounds Isoindoles and derivatives Substituted pyrroles Morpholines Tertiary carboxylic acid amides Sulfonyls Organosulfonic acids and derivatives Heteroaromatic compounds Lactams Oxacyclic compounds Dialkyl ethers Azacyclic compounds Carbonyl compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives
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 - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Tertiary carboxylic acid amide - Pyrrole - Heteroaromatic compound - Carboxamide group - Lactam - 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