Compound Identification
SMILES
CC1(C)\C2=C/C3=C(O)C(=CC4=[N+](CCCCCC(=O)NC5=CC(=CC(NC(=O)CCCCCN2C2=C1C=C(C=C2)S(O)(=O)=O)=C5)C(O)=O)C1=C(C=C(C=C1)S(O)(=O)=O)C4(C)C)C3=O
InChIKey
InChIKey=SSQROYDWSMTSJO-UHFFFAOYSA-O
Formula
C45H49N4O12S2
Mass
902.02
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Indoles and derivatives
-
Subclass
Indoles
- Level 5 3-alkylindoles
-
Subclass
Indoles
-
Class
Indoles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Indoles
Intermediate Tree Nodes
Not available
Direct Parent
3-alkylindoles
Alternative Parents
1-sulfo,2-unsubstituted aromatic compounds Tertiary alkylarylamines Benzenoids Vinylogous acids Sulfonyls Organosulfonic acids Secondary carboxylic acid amides Amino acids Ketones Lactams Enols Enamines Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-alkylindole - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Tertiary aliphatic/aromatic amine - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Vinylogous acid - Secondary carboxylic acid amide - Tertiary amine - Lactam - Ketone - Amino acid - Carboxamide group - Amino acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Enamine - Enol - Azacycle - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Amine - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position.
External Descriptors
Not available