Compound Identification
SMILES
NC(N)=NC1=NC=C(Cl)C2=C1C=C(C=C2)S(=O)(=O)NC1(CCOC=C1)C(O)=O
InChIKey
InChIKey=OQHOTVCRLAKPGN-UHFFFAOYSA-N
Formula
C16H16ClN5O5S
Mass
425.84
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoquinolines and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Isoquinolines and derivatives
Alternative Parents
Alpha amino acids and derivatives Pyridines and derivatives Aryl chlorides Benzenoids Organosulfonamides Pyrans Heteroaromatic compounds Aminosulfonyl compounds Guanidines Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Isoquinoline - Aryl chloride - Aryl halide - Pyran - Pyridine - Organosulfonic acid amide - Benzenoid - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Guanidine - Propargyl-type 1,3-dipolar organic compound - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organohalogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.
External Descriptors
Not available