SC83288 - Moligand™ , CAS No.S613482

CAS: S613482 Cat. No.: S613482 PubChem CID: 57496162

등급 & 순도 Moligand™

Storage

Room temperature

사양

사양 및 순도

Moligand™

보관 조건

Room temperature

등급

Moligand™

이름과 식별자

정식 스마일

COC(=O)N1CCN(CC1)C(=N)c1cccc(c1)NC(=O)Nc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)S(=O)(=O)N

IUPAC Name

methyl 4-[3-[[4-[(4-sulfamoylphenyl)methylsulfamoyl]phenyl]carbamoylamino]benzenecarboximidoyl]piperazine-1-carboxylate

InChIKey

UJKWTQWUYKHLGQ-UHFFFAOYSA-N

INCHI

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)

이성체 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

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

Data sources

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

작용 메커니즘