Compound Identification
SMILES
CCN1C(=O)C(CS(O)(=O)=O)=C(C)\C(=N\NC2=C(C=CC(NC3=NC(OC(C)C)=NC(Cl)=N3)=C2)S(O)(=O)=O)C1=O
InChIKey
InChIKey=XVAIRKHFTUTYAC-NTFVMDSBSA-N
Formula
C21H24ClN7O9S2
Mass
618.03
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 Phenylhydrazines Alkoxy-S-triazines Aniline and substituted anilines Alkyl aryl ethers Aminotriazines Chloro-s-triazines Aryl chlorides Hydropyridines N-substituted carboxylic acid imides Heteroaromatic compounds Dicarboximides Organosulfonic acids Alkanesulfonic acids Sulfonyls Hydrazones Azacyclic compounds Carbonyl compounds Organic oxides Organochlorides Amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonate - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Phenylhydrazine - Aniline or substituted anilines - Alkoxy-s-triazine - Amino-1,3,5-triazine - Alkyl aryl ether - Aminotriazine - Chloro-s-triazine - Halo-s-triazine - Carboxylic acid imide, n-substituted - Hydropyridine - Triazine - 1,3,5-triazine - Aryl chloride - Aryl halide - Organosulfonic acid - Organosulfonic acid or derivatives - Sulfonyl - Dicarboximide - Carboxylic acid imide - Heteroaromatic compound - Alkanesulfonic acid - Organic sulfonic acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Hydrazone - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic oxide - Amine - Organic oxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic 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