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

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ChEBI Name 3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]propanenitrile ChEBI ID CHEBI:104178 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C16H21N3O4S Net Charge 0 Average Mass 351.422 Monoisotopic Mass 351.12528 InChI InChI=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 InChIKey DWICNPFMJASQND-UHFFFAOYSA-N SMILES C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)CCC#N)OC1 ChEBI Ontology Outgoing 3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]propanenitrile (CHEBI:104178) is a aromatic ether (CHEBI:35618) Manual Xref Database LSM-15542 LINCS View more database links