Compound Identification
SMILES
CC1(C)C(\C=C\C=C\C=C2/N(CCCS(O)(=O)=O)C3=C(C=C(C=C3)S(O)(=O)=O)C2(C)CCCCCC(O)=O)=NC2=[N+](CCCS(O)(=O)=O)C=C(Br)C=C12
InChIKey
InChIKey=ISDKSMYWRSAOCD-UHFFFAOYSA-O
Formula
C35H45BrN3O11S3
Mass
859.84
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Pyrrolopyridines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolopyridines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyrrolopyridines
Alternative Parents
1-sulfo,2-unsubstituted aromatic compounds Indoles and derivatives Tertiary alkylarylamines Medium-chain fatty acids Halogenated fatty acids Heterocyclic fatty acids Benzenoids Pyridinium derivatives Aryl bromides Sulfonyls Organosulfonic acids Heteroaromatic compounds Alkanesulfonic acids Amino acids Ketimines Carboxylic acids Azacyclic compounds Enamines Monocarboxylic acids and derivatives Organobromides Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Arylsulfonic acid or derivatives - Indole or derivatives - Pyrrolopyridine - 1-sulfo,2-unsubstituted aromatic compound - Tertiary aliphatic/aromatic amine - Medium-chain fatty acid - Halogenated fatty acid - Heterocyclic fatty acid - Benzenoid - Fatty acyl - Aryl bromide - Aryl halide - Pyridinium - Pyridine - Alkanesulfonic acid - Heteroaromatic compound - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Tertiary amine - Amino acid - Amino acid or derivatives - Ketimine - Azacycle - Carboxylic acid derivative - Carboxylic acid - Enamine - Monocarboxylic acid or derivatives - Organic oxygen compound - Imine - Organosulfur compound - Amine - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrrolopyridines. These are compounds containing a pyrrolopyridine moiety, which consists of a pyrrole ring fused to a pyridine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
External Descriptors
Not available