Compound Identification
SMILES
[Cl-].CCOC(=O)C1=C(C[NH2+]CC2=CC=CC=C2)N(C)C2=C1C=C(OS(=O)(=O)C1=CC=C(C)C=C1)C=C2
InChIKey
InChIKey=HEFLRNDVJVOIDB-UHFFFAOYSA-N
Formula
C27H29ClN2O5S
Mass
529.05
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Indoles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Indolecarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Indolecarboxylic acids and derivatives
Alternative Parents
p-Methylbenzenesulfonates Benzenesulfonate esters Tosyl compounds N-alkylindoles Arylsulfonic acids and derivatives Benzenesulfonyl compounds Indoles Pyrrole carboxylic acids and derivatives Benzylamines Phenylmethylamines Aralkylamines N-methylpyrroles Organosulfonic acid esters Vinylogous amides Heteroaromatic compounds Sulfonyls Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Organic chloride salts Hydrocarbon derivatives Organic oxides Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indolecarboxylic acid derivative - Benzenesulfonate ester - P-methylbenzenesulfonate - N-alkylindole - Benzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Indole - Pyrrole-3-carboxylic acid or derivatives - Phenylmethylamine - Benzylamine - Toluene - Aralkylamine - Monocyclic benzene moiety - Substituted pyrrole - Organosulfonic acid ester - N-methylpyrrole - Benzenoid - Sulfonyl - Organosulfonic acid or derivatives - Heteroaromatic compound - Vinylogous amide - Pyrrole - Organic sulfonic acid or derivatives - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Secondary aliphatic amine - Azacycle - Monocarboxylic acid or derivatives - Secondary amine - Organic oxygen compound - Organic chloride salt - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organic salt - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole.
External Descriptors
Not available