Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(C=C1)[NH+]1CCN(CC1)S(=O)(=O)C1=CC2=CC=CC=C2C=C1
InChIKey
InChIKey=UFHCEZWFXJZECH-UHFFFAOYSA-O
Formula
C20H20N3O4S
Mass
398.46
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
2-naphthalene sulfonic acids and derivatives
Alternative Parents
2-naphthalene sulfonamides Phenylpiperazines N-arylpiperazines Nitrobenzenes Nitroaromatic compounds Aniline and substituted anilines Organosulfonamides Sulfonyls Organic oxoazanium compounds Azacyclic compounds Organic salts Organic oxides Hydrocarbon derivatives Amines Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-naphthalene sulfonamide - Naphthalene sulfonamide - 2-naphthalene sulfonic acid or derivatives - Phenylpiperazine - N-arylpiperazine - Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Monocyclic benzene moiety - 1,4-diazinane - Organosulfonic acid amide - Piperazine - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic nitro compound - C-nitro compound - Organoheterocyclic compound - Azacycle - Organic oxoazanium - Organic salt - Hydrocarbon derivative - Amine - Organosulfur compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2-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 2-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
External Descriptors
Not available