CHEBI:91411 - N-[3-(2,1,3-benzothiadiazol-4-ylamino)-2-quinoxalinyl]-4-methylbenzenesulfonamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[3-(2,1,3-benzothiadiazol-4-ylamino)-2-quinoxalinyl]-4-methylbenzenesulfonamide
ChEBI ID CHEBI:91411
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H16N6O2S2
Net Charge 0
Average Mass 448.524
Monoisotopic Mass 448.07762
InChI InChI=1S/C21H16N6O2S2/c1-13-9-11-14(12-10-13)31(28,29)27-21-20(22-15-5-2-3-6-16(15)23-21)24-17-7-4-8-18-19(17)26-30-25-18/h2-12H,1H3,(H,22,24)(H,23,27)
InChIKey NCUAOBDESQDAII-UHFFFAOYSA-N
SMILES CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC=CC5=NSN=C54
ChEBI Ontology
Outgoing N-[3-(2,1,3-benzothiadiazol-4-ylamino)-2-quinoxalinyl]-4-methylbenzenesulfonamide (CHEBI:91411) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-1149 LINCS
View more database links