CHEBI:109795 - 1-acetyl-5-bromo-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methyl-2,3-dihydroindole-7-sulfonamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-acetyl-5-bromo-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methyl-2,3-dihydroindole-7-sulfonamide
ChEBI ID CHEBI:109795
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H21BrN2O5S
Net Charge 0
Average Mass 481.362
Monoisotopic Mass 480.03546
InChI InChI=1S/C20H21BrN2O5S/c1-12-7-14-8-15(21)9-19(20(14)23(12)13(2)24)29(25,26)22-10-16-11-27-17-5-3-4-6-18(17)28-16/h3-6,8-9,12,16,22H,7,10-11H2,1-2H3
InChIKey SIBRQXJGJMWOEK-UHFFFAOYSA-N
SMILES CC1CC2=CC(=CC(=C2N1C(=O)C)S(=O)(=O)NCC3COC4=CC=CC=C4O3)Br
ChEBI Ontology
Outgoing 1-acetyl-5-bromo-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methyl-2,3-dihydroindole-7-sulfonamide (CHEBI:109795) is a benzodioxine (CHEBI:64096)
Manual Xref Database
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