Compound Identification
SMILES
CC1=NN(C(=O)\C1=C1/CC(C)(C)CC(C=CC=C2OC3=CC=CC=C3N2CCCS(O)(=O)=O)=C1)C1=CC=C(C=C1)S(O)(=O)=O
InChIKey
InChIKey=JEBBXXFVVHQLAN-SHTHZFBYSA-N
Formula
C31H33N3O8S2
Mass
639.74
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzenesulfonic acids and derivatives
Alternative Parents
1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Benzoxazolines Pyrazolones Sulfonyls Alkanesulfonic acids Organosulfonic acids Ketene acetals Carboxylic acids and derivatives Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzenesulfonate - Arylsulfonic acid or derivatives - Benzoxazoline - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Pyrazolinone - Pyrazoline - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Alkanesulfonic acid - Sulfonyl - Ketene acetal or derivatives - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzenesulfonic acids and derivatives. These are organic compounds containing a sulfonic acid or a derivative thereof that is linked to a benzene ring.
External Descriptors
Not available