Structure Information
Structure

Compound Identification

SMILES

CC1=C(OC(C)(C)C(O)=O)C=CC(=C1)S(=O)(=O)N1CCN(CC1)C1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=XEKHXBIHKYPUKS-UHFFFAOYSA-N

Formula

C21H25N3O7S

Mass

463.51

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazinanes

Subclass

Piperazines

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpiperazines

Alternative Parents

N-arylpiperazines Phenoxyacetic acid derivatives Benzenesulfonamides Benzenesulfonyl compounds Nitrobenzenes Aniline and substituted anilines Phenoxy compounds Phenol ethers Dialkylarylamines Nitroaromatic compounds Toluenes Alkyl aryl ethers Organosulfonamides Sulfonyls Amino acids Organic oxoazanium compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organic salts Carbonyl compounds Organic zwitterions Organic oxides

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

N-arylpiperazine - Phenylpiperazine - Phenoxyacetate - Benzenesulfonamide - Benzenesulfonyl group - Nitrobenzene - Phenol ether - Nitroaromatic compound - Phenoxy compound - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Toluene - Alkyl aryl ether - Benzenoid - Organosulfonic acid amide - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary amine - C-nitro compound - Amino acid or derivatives - Amino acid - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Organic oxoazanium - Azacycle - Carbonyl group - Organic oxide - Organic oxygen compound - Organic salt - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.

External Descriptors

Not available

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