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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzenesulfonic acids and derivatives
- Level 5 p-Nitrobenzenesulfonates
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Subclass
Benzenesulfonic acids and derivatives
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
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
Alpha amino acid amides p-Bromobenzenesulfonates 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Piperidinecarboxamides Nitrobenzenes Nitroaromatic compounds Aralkylamines Oxazolidinones Sulfonyls Carbamate esters Organosulfonic acids Secondary carboxylic acid amides Trialkylamines Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic salts Organic zwitterions
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