Structure Information
Structure

Compound Identification

SMILES

OS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O.CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]1OC(=O)N[C@H]1CC1=CC=CC=C1

InChIKey

InChIKey=USOWKZZXSGEHMP-XLGQSWBBSA-N

Formula

C31H42N4O8S

Mass

630.76

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzenesulfonic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

p-Nitrobenzenesulfonates

Alternative Parents

Molecular Framework

Not available

Substituents

P-nitrobenzenesulfonate - Alpha-amino acid amide - P-bromobenzenesulfonate - Alpha-amino acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Piperidinecarboxamide - 2-piperidinecarboxamide - Nitrobenzene - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Nitroaromatic compound - Aralkylamine - Oxazolidinone - Piperidine - Organic sulfonic acid or derivatives - Oxazolidine - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Carbamic acid ester - Tertiary aliphatic amine - Tertiary amine - Organic nitro compound - C-nitro compound - Carboxamide group - Amino acid or derivatives - Secondary carboxylic acid amide - Oxacycle - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxide - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic zwitterion - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as p-nitrobenzenesulfonates. These are benzenesulfonic acids (or derivative thereof) carrying a nitro group at the para- position.

External Descriptors

Not available

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