Compound Identification
SMILES
[3H]C(CNS(=O)(=O)C1=CC=CC2=C1C=CC=C2N(C)C)C([3H])C([3H])[C@H](N)C(O)=O
InChIKey
InChIKey=VQPRNSWQIAHPMS-AEETTXGSSA-N
Formula
C18H25N3O4S
Mass
385.5
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 L-alpha-amino acids Medium-chain fatty acids Dialkylarylamines Organosulfonamides Aminosulfonyl compounds Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
1-naphthalene sulfonic acid or derivatives - Naphthalene sulfonamide - 1-naphthalene sulfonamide - Alpha-amino acid - Alpha-amino acid or derivatives - L-alpha-amino acid - Tertiary aliphatic/aromatic amine - Medium-chain fatty acid - Dialkylarylamine - Organosulfonic acid amide - Fatty acyl - Fatty acid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Amino acid or derivatives - Tertiary amine - Amino acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Primary aliphatic amine - Primary amine - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homopolycyclic 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