Compound Identification
SMILES
CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NC1=CC=C(S[C@@]2(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O2)[C@H](O)[C@H](O)CO)C(O)=O)C=C1
InChIKey
InChIKey=YRNBBVVAZPSEKQ-DWHFJZGISA-N
Formula
C29H35N3O10S2
Mass
649.73
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Naphthalenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Naphthalenes
Subclass
Naphthalene sulfonic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
1-naphthalene sulfonic acids and derivatives
Alternative Parents
1-naphthalene sulfonamides C-glucuronides C-glycosyl compounds Sulfanilides Aryl thioethers Dialkylarylamines Monothioketals Oxanes Organosulfonamides Pyrans Acetamides Aminosulfonyl compounds Amino acids Secondary carboxylic acid amides Secondary alcohols Polyols Oxacyclic compounds Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Primary alcohols Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
C-glucuronide - 1-naphthalene sulfonamide - Naphthalene sulfonamide - 1-naphthalene sulfonic acid or derivatives - C-glycosyl compound - Glycosyl compound - Sulfanilide - Tertiary aliphatic/aromatic amine - Aryl thioether - Dialkylarylamine - Monothioketal - Monocyclic benzene moiety - Pyran - Organosulfonic acid amide - Oxane - Acetamide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Monothioacetal - Sulfonyl - Aminosulfonyl compound - Carboxamide group - Amino acid or derivatives - Secondary alcohol - Secondary carboxylic acid amide - Amino acid - Tertiary amine - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Sulfenyl compound - Polyol - Amine - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic oxide - Organic nitrogen compound - Primary alcohol - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1-naphthalene sulfonic acids and derivatives. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group (or a derivative thereof) at the 1-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
External Descriptors
Not available