1S/C27H31N7O7S2/c1-41-27(36)34-15-13-33(14-16-34)25(28)20-3-2-4-22(17-20)32-26(35)31-21-7-11-24(12-8-21)43(39,40)30-18-19-5-9-23(10-6-19)42(29,37)38/h2-12,17,28,30H,13-16,18H2,1H3,(H2,29,37,38)(H2,31,32,35)

異性体SMILES

COC(=O)N1CCN(CC1)C(=N)C2=CC(=CC=C2)NC(=O)NC3=CC=C(C=C3)S(=O)(=O)NCC4=CC=C(C=C4)S(=O)(=O)N

PubChem CID

57496162

詳細データ

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - 分類 Benzene and substituted derivatives
    - Subclass Benzenesulfonamides

Kingdom	Organic compounds
Superclass	Benzenoids
分類	Benzene and substituted derivatives
Subclass	Benzenesulfonamides
Intermediate Tree Nodes	Not available
Direct Parent	Benzenesulfonamides
Alternative Parents	N-phenylureas Piperazine carboxylic acids Benzenesulfonyl compounds Organosulfonamides Methylcarbamates Aminosulfonyl compounds Ureas Tertiary amines Carboximidamides Carboxamidines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Benzenesulfonamide - N-phenylurea - Piperazine-1-carboxylic acid - Benzenesulfonyl group - 1,4-diazinane - Piperazine - Organosulfonic acid amide - Methylcarbamate - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Carbamic acid ester - Sulfonyl - Organosulfonic acid or derivatives - Urea - Tertiary amine - Azacycle - Organoheterocyclic compound - Carboxylic acid amidine - Amidine - Carboximidamide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organic oxygen compound - Amine - Carbonyl group - Aromatic heteromonocyclic compound
説明	This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3 D構造

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