Compound Identification
SMILES
[O-][N+](=O)C1=C(CN([C@@H](COS(=O)(=O)C2=CC=CC=C2)CC2=CC=CC=C2)S(=O)(=O)C2=CC=CS2)C=C(C=C1)C#N
InChIKey
InChIKey=AIMZLUTZSFXJRW-XMMPIXPASA-N
Formula
C27H23N3O7S3
Mass
597.68
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
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Class
Benzene and substituted derivatives
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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
Amphetamines and derivatives Arylsulfonic acids and derivatives Benzenesulfonyl compounds Nitrobenzenes Benzonitriles Nitroaromatic compounds Organosulfonamides Organosulfonic acid esters Thiophenes Heteroaromatic compounds Aminosulfonyl compounds Organic oxoazanium compounds Nitriles Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Organic salts Organooxygen compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonate ester - Amphetamine or derivatives - Arylsulfonic acid or derivatives - Nitrobenzene - Benzenesulfonyl group - Nitroaromatic compound - Benzonitrile - Organosulfonic acid amide - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Heteroaromatic compound - Organosulfonic acid or derivatives - Sulfonyl - Thiophene - Aminosulfonyl compound - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Carbonitrile - Nitrile - Organic oxoazanium - Organic salt - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Cyanide - Organic cation - 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