Compound Identification
SMILES
OC=O.CS(=O)(=O)N(C1=CC=CC(=C1)C(N)=O)C1=CC(=CC(=C1)N1CCCC1=O)C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](O)CNCC1=CC(=CC=C1)C(F)(F)F
InChIKey
InChIKey=NWBTXWNTRJXOLT-XWIRJDCTSA-N
Formula
C38H40F3N5O8S
Mass
783.82
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Acylaminobenzoic acid and derivatives
Alternative Parents
Phenylbutylamines Phenylpyrrolidines Trifluoromethylbenzenes Amphetamines and derivatives Sulfanilides Benzamides Phenylmethylamines Benzoyl derivatives Benzylamines Aralkylamines Organosulfonamides Pyrrolidine-2-ones Organic sulfonamides Pyrroles Aminosulfonyl compounds Tertiary carboxylic acid amides Primary carboxylic acid amides Secondary alcohols Secondary carboxylic acid amides Amino acids and derivatives Lactams 1,2-aminoalcohols Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Alkyl fluorides Organic oxides Organofluorides Carbonyl compounds
Molecular Framework
Not available
Substituents
Acylaminobenzoic acid or derivatives - Phenylbutylamine - 1-phenylpyrrolidine - Amphetamine or derivatives - Trifluoromethylbenzene - Sulfanilide - Benzamide - Benzoyl - Benzylamine - Phenylmethylamine - Aralkylamine - Pyrrolidone - 2-pyrrolidone - Organosulfonic acid amide - Organic sulfonic acid amide - Aminosulfonyl compound - Pyrrole - Pyrrolidine - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Amino acid or derivatives - Secondary carboxylic acid amide - Primary carboxylic acid amide - 1,2-aminoalcohol - Secondary alcohol - Carboxamide group - Lactam - Organoheterocyclic compound - Azacycle - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Amine - Organooxygen compound - Organosulfur compound - Alcohol - Alkyl fluoride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated.
External Descriptors
Not available