Compound Identification
SMILES
CC1=C(C=NC2=CC=C(C=C2)C2=CSC(=N2)C2=CC=C(Cl)C=C2)C=CC(=C1)N(CCOS(C)(=O)=O)CCOS(C)(=O)=O
InChIKey
InChIKey=IGPJOVSMGKQMEN-UHFFFAOYSA-N
Formula
C29H30ClN3O6S3
Mass
648.2
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Toluenes
- Level 5 Aminotoluenes
-
Subclass
Toluenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Toluenes
Intermediate Tree Nodes
Not available
Direct Parent
Aminotoluenes
Alternative Parents
Aniline and substituted anilines Dialkylarylamines 2,4-disubstituted thiazoles Chlorobenzenes Sulfonic acid esters Aryl chlorides Organosulfonic acid esters Methanesulfonates Heteroaromatic compounds Sulfonyls Shiff bases Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Organochlorides Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Aminotoluene - 2,4-disubstituted 1,3-thiazole - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Sulfonic acid ester - Organosulfonic acid ester - Methanesulfonate - Thiazole - Organic sulfonic acid or derivatives - Sulfonyl - Azole - Organosulfonic acid or derivatives - Heteroaromatic compound - Shiff base - Tertiary amine - Aldimine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organohalogen compound - Imine - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aminotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and one amino group.
External Descriptors
Not available