Structure Information
Structure

Compound Identification

SMILES

COC1=C(C)C(C)=C(C(C)=C1)S(=O)(=O)NC1=NC(C)=C([C@@H]2CC[C@@H](CCOC(=O)C3=CC=C(Br)C=C3)N12)C(=O)OCC1=CC=CC=C1

InChIKey

InChIKey=XSXHBZQGACYGCT-VMPREFPWSA-N

Formula

C35H38BrN3O7S

Mass

724.67

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Benzoic acid esters

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzyloxycarbonyl - Benzoate ester - Benzenesulfonamide - Pyrrolopyrimidine - Benzenesulfonyl group - Methoxybenzene - Benzoyl - Anisole - Phenoxy compound - Phenol ether - Bromobenzene - Halobenzene - Alkyl aryl ether - Aryl bromide - Aryl halide - Hydropyrimidine - 1,6-dihydropyrimidine - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Pyrrolidine - Sulfonyl - Aminosulfonyl compound - Guanidine - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organosulfur compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.

External Descriptors

Not available

Previous Back Next