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CHEBI:180581 - 4-[[5-(acetylamino)-1-methyl-1H-indol-3-yl]methyl]-3-methoxy-N-[(2-methylphenyl)sulfonyl]-Benzamide

ChEBI IDCHEBI:180581
ChEBI Name4-[[5-(acetylamino)-1-methyl-1H-indol-3-yl]methyl]-3-methoxy-N-[(2-methylphenyl)sulfonyl]-Benzamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H27N3O5S
Net Charge0
Average Mass505.596
Monoisotopic Mass505.16714
SMILESCOc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cc1cn(C)c2ccc(NC(C)=O)cc12
InChIInChI=1S/C27H27N3O5S/c1-17-7-5-6-8-26(17)36(33,34)29-27(32)20-10-9-19(25(14-20)35-4)13-21-16-30(3)24-12-11-22(15-23(21)24)28-18(2)31/h5-12,14-16H,13H2,1-4H3,(H,28,31)(H,29,32)
InChIKeyXZEKBYKKJYHZAZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) pancreas (BTO:0000988) MetaboLights (MTBLS1925) Strain: PANC-1 cell [BCGO:0000122]
ChEBI Ontology
Outgoing Relation(s)
4-[[5-(acetylamino)-1-methyl-1H-indol-3-yl]methyl]-3-methoxy-N-[(2-methylphenyl)sulfonyl]-Benzamide (CHEBI:180581) is a sulfonamide (CHEBI:35358)
IUPAC Name 
4-[(5-acetamido-1-methylindol-3-yl)methyl]-3-methoxy-N-(2-methylphenyl)sulonylbenzamide