Compound Identification
SMILES
CN(C)C1=CC=C(C=C1)P(C[C@@H]1C[C@H](CN1C(=O)OC(C)(C)C)OS(=O)(=O)C1=CC=C(C)C=C1)C1=CC=C(C=C1)N(C)C
InChIKey
InChIKey=XXBSVAWMQBMBEY-WUFINQPMSA-N
Formula
C33H44N3O5PS
Mass
625.76
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzenesulfonic acids and derivatives
- Level 5 Benzenesulfonate esters
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Subclass
Benzenesulfonic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzenesulfonate esters
Alternative Parents
p-Methylbenzenesulfonates Tosyl compounds Arylsulfonic acids and derivatives Benzenesulfonyl compounds Aniline and substituted anilines Pyrrolidine carboxylic acids Dialkylarylamines Organosulfonic acid esters Sulfonyls Carbamate esters Organic phosphines and derivatives Azacyclic compounds Carbonyl compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
P-methylbenzenesulfonate - Benzenesulfonate ester - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Toluene - Organosulfonic acid ester - Carbamic acid ester - Pyrrolidine - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Phosphine - Tertiary amine - Organoheterocyclic compound - Azacycle - Organic oxide - Organic nitrogen compound - Amine - Organosulfur compound - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzenesulfonate esters. These are arenesulfonate esters that result from the formal condensation of the hydroxy group of an alcohol, enol, phenol or heteroarenol with benzenesulfonic acid.
External Descriptors
Not available