Compound Identification
SMILES
CC(C)CN(C[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)C1=CC2=C(C=C1)N=C(NC(=O)OCCN(C)C)N2
InChIKey
InChIKey=OUYSTHQGRPAQNM-PASGRGCRSA-N
Formula
C33H46N6O9S
Mass
702.82
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Benzimidazoles
- Subclass 2-benzimidazolylcarbamic acid esters
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Class
Benzimidazoles
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzimidazoles
Subclass
2-benzimidazolylcarbamic acid esters
Intermediate Tree Nodes
Not available
Direct Parent
2-benzimidazolylcarbamic acid esters
Alternative Parents
Phenylbutylamines Amphetamines and derivatives Furofurans Organosulfonamides Aminosulfonyl compounds Carbamate esters Heteroaromatic compounds Imidazoles Oxolanes Trialkylamines Secondary alcohols Azacyclic compounds Acetals Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-benzimidazolylcarbamic acid ester - Phenylbutylamine - Amphetamine or derivatives - Furofuran - Monocyclic benzene moiety - Organosulfonic acid amide - Benzenoid - Azole - Imidazole - Oxolane - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Carbamic acid ester - Aminosulfonyl compound - Heteroaromatic compound - Secondary alcohol - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Azacycle - Acetal - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Alcohol - Hydrocarbon derivative - Organosulfur compound - Amine - Organic oxide - Organic oxygen compound - Carbonyl group - Organopnictogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2-benzimidazolylcarbamic acid esters. These are aromatic heteropolycyclic compounds that contain a carbamic acid ester group, which is N-linked to the C2-atom of a benzimidazole moiety.
External Descriptors
Not available