EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:104086 - 4-(1-azepanylsulfonyl)-N-(6-bromo-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide

ChEBI IDCHEBI:104086
ChEBI Name4-(1-azepanylsulfonyl)-N-(6-bromo-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide
Stars
DownloadsMolfile
FormulaC25H31BrN4O3S2
Net Charge0
Average Mass579.586
Monoisotopic Mass578.10209
SMILESCN(C)CCCN(C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1nc2ccc(Br)cc2s1
InChIInChI=1S/C25H31BrN4O3S2/c1-28(2)14-7-17-30(25-27-22-13-10-20(26)18-23(22)34-25)24(31)19-8-11-21(12-9-19)35(32,33)29-15-5-3-4-6-16-29/h8-13,18H,3-7,14-17H2,1-2H3
InChIKeyFKTZJXIWJXXAPE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-(1-azepanylsulfonyl)-N-(6-bromo-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide (CHEBI:104086) is a sulfonamide (CHEBI:35358)
Manual XrefsDatabases
LSM-15444LINCS