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CHEBI:104178 - 3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]propanenitrile

ChEBI IDCHEBI:104178
ChEBI Name3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]propanenitrile
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DownloadsMolfile
FormulaC16H21N3O4S
Net Charge0
Average Mass351.428
Monoisotopic Mass351.12528
SMILESN#CCCN1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1
InChIInChI=1S/C16H21N3O4S/c17-5-1-6-18-7-9-19(10-8-18)24(20,21)14-3-4-15-16(13-14)23-12-2-11-22-15/h3-4,13H,1-2,6-12H2
InChIKeyDWICNPFMJASQND-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]propanenitrile (CHEBI:104178) is a aromatic ether (CHEBI:35618)
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LSM-15542LINCS