Compound Identification
SMILES
CC(=O)OC(CC#CCS(=O)(=O)C1=CC=CC=C1)CN1C=CN=C1[N+]([O-])=O
InChIKey
InChIKey=IZFIMDQAYONVFI-UHFFFAOYSA-N
Formula
C17H17N3O6S
Mass
391.4
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzenesulfonyl compounds
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonyl compounds
Intermediate Tree Nodes
Not available
Direct Parent
Benzenesulfonyl compounds
Alternative Parents
Nitroaromatic compounds N-substituted imidazoles Sulfones Heteroaromatic compounds Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonyl group - Nitroaromatic compound - N-substituted imidazole - Azole - Imidazole - Sulfone - Sulfonyl - Heteroaromatic compound - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxoazanium - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - 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