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
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
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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Subclass
Benzoic 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
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
4-halobenzoic acids and derivatives Benzenesulfonamides Benzyloxycarbonyls Pyrrolopyrimidines Benzenesulfonyl compounds Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Bromobenzenes Aryl bromides Hydropyrimidines Pyrrolidines Aminosulfonyl compounds Organosulfonic acids and derivatives Enoate esters Guanidines Monocarboxylic acids and derivatives Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carboximidamides Hydrocarbon derivatives Organic oxides Organobromides Carbonyl compounds
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