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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzonitriles
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzonitriles
Intermediate Tree Nodes
Not available
Direct Parent
Benzonitriles
Alternative Parents
Dialkylarylamines Aniline and substituted anilines Aralkylamines Aminopyrimidines and derivatives Piperidines Organosulfonamides N-substituted imidazoles Heteroaromatic compounds Aminosulfonyl compounds Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives
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