Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(NC(=S)N2CCCN(CC3=CC=C(C=C3)S(C)(=O)=O)CC2)C(C)=CS1

InChIKey

InChIKey=HFSYPVTVNQSTIZ-UHFFFAOYSA-N

Formula

C21H27N3O4S3

Mass

481.64

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzenesulfonyl compounds

Intermediate Tree Nodes

Not available

Direct Parent

Benzenesulfonyl compounds

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Benzenesulfonyl group - Benzylamine - Phenylmethylamine - Thiophene carboxylic acid or derivatives - 1,4-diazepane - Diazepane - Aralkylamine - Heteroaromatic compound - Vinylogous amide - Methyl ester - Thiophene - Sulfonyl - Sulfone - Amino acid or derivatives - Tertiary aliphatic amine - Thiourea - Carboxylic acid ester - Tertiary amine - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as benzenesulfonyl compounds. These are aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl group.

External Descriptors

Not available

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