Compound Identification
SMILES
CCS(O)(=O)=O.CC1(C)N=C(N)N=C(N)N1C1=CC(Cl)=C(OCC2=CC=C(C=C2)S(=O)(=O)OC2=CC=CC=C2C#N)C=C1
InChIKey
InChIKey=LWBMUEHTRPVYGZ-UHFFFAOYSA-N
Formula
C27H29ClN6O7S2
Mass
649.13
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
Benzenesulfonyl compounds Arylsulfonic acids and derivatives Phenoxy compounds Phenol ethers Benzonitriles Chlorobenzenes Aminotriazines Alkyl aryl ethers Organosulfonic acid esters Aryl chlorides 1,3,5-triazines Sulfonyls Organosulfonic acids Alkanesulfonic acids Guanidines Propargyl-type 1,3-dipolar organic compounds Nitriles Carboximidamides Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Imines Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Benzenesulfonate ester - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Phenoxy compound - Phenol ether - Benzonitrile - Halobenzene - Chlorobenzene - Aminotriazine - Alkyl aryl ether - 1,3,5-triazine - Triazine - Organosulfonic acid ester - Aryl halide - Aryl chloride - Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Guanidine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Nitrile - Carbonitrile - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Imine - 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