Compound Identification
SMILES
BrCC1=CC=CC=C1.CNN(CC1=CC=CC=C1)S(=O)(=O)C1=CC=C(C)C=C1.COC1=CC=C(CS[C@@H]2C[C@H](N(C2)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(O)=O)C=C1
InChIKey
InChIKey=NWPHIVMDCVZJET-JAKCROMZSA-N
Formula
C45H48BrN3O7S3
Mass
918.98
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 Proline and derivatives Tosyl compounds Benzenesulfonamides Benzenesulfonyl compounds Anisoles Benzyl bromides Methoxybenzenes Phenoxy compounds Pyrrolidine carboxylic acids Alkyl aryl ethers Sulfonohydrazides Organosulfonamides Sulfonyls Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Sulfenyl compounds Azacyclic compounds Organic oxides Alkyl bromides Hydrocarbon derivatives Carbonyl compounds Organobromides Organonitrogen compounds
Molecular Framework
Not available
Substituents
2-naphthalene sulfonic acid or derivatives - Naphthalene sulfonamide - 2-naphthalene sulfonamide - Proline or derivatives - Alpha-amino acid or derivatives - Tosyl compound - Benzenesulfonamide - Benzenesulfonyl group - Pyrrolidine carboxylic acid or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Benzyl halide - Benzyl bromide - Phenol ether - Pyrrolidine carboxylic acid - Toluene - Alkyl aryl ether - Sulfonohydrazide - Organosulfonic acid amide - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Pyrrolidine - Sulfonyl - Organosulfonic acid or derivatives - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Dialkylthioether - Sulfenyl compound - Thioether - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl bromide - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - 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