Structure Information
Structure

Compound Identification

SMILES

CN1C=NC(=C1)S(=O)(=O)N(CC1CCN(CC1)C1=NC=CC=N1)[C@@H]1CC[C@H](C1)N(CC1=CN=CN1C)C1=CC=C(C=C1)C#N

InChIKey

InChIKey=FLJNAUDMXHEDNW-VSGBNLITSA-N

Formula

C31H38N10O2S

Mass

614.77

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzonitriles

Intermediate Tree Nodes

Not available

Direct Parent

Benzonitriles

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Benzonitrile - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Aminopyrimidine - Aralkylamine - N-substituted imidazole - Piperidine - Pyrimidine - Organosulfonic acid amide - Heteroaromatic compound - Imidazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Azole - Sulfonyl - Aminosulfonyl compound - Tertiary amine - Nitrile - Carbonitrile - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Cyanide - Amine - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.

External Descriptors

Not available

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