Compound Identification
SMILES
COC(=O)C1=C(C)NC(C)=C([C@H]1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC1CCCN(CCNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C1
InChIKey
InChIKey=KBOOGSSHXWIBSH-BDTAHNRFSA-N
Formula
C33H36N4O8S
Mass
648.73
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
2-naphthalene sulfonic acids and derivatives
Alternative Parents
2-naphthalene sulfonamides Dihydropyridinecarboxylic acids and derivatives Nitrobenzenes Nitroaromatic compounds Piperidines Organosulfonamides Dicarboxylic acids and derivatives Vinylogous amides Aminosulfonyl compounds Methyl esters Enoate esters Trialkylamines Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Dialkylamines Organic oxoazanium compounds Enamines Organic salts Organic zwitterions Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-naphthalene sulfonamide - Naphthalene sulfonamide - 2-naphthalene sulfonic acid or derivatives - Dihydropyridinecarboxylic acid derivative - Nitrobenzene - Nitroaromatic compound - Dihydropyridine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Hydropyridine - Piperidine - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Vinylogous amide - Sulfonyl - Aminosulfonyl compound - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - C-nitro compound - Organic nitro compound - Amino acid or derivatives - Allyl-type 1,3-dipolar organic compound - Secondary aliphatic amine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Enamine - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Secondary amine - Organic zwitterion - Hydrocarbon derivative - Organic salt - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Amine - 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