CHEBI:93419 - 3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]sulfonyl]aniline

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ChEBI Name 3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]sulfonyl]aniline
ChEBI ID CHEBI:93419
Stars This entity has been manually annotated by a third party.
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Formula C19H23N3O6S2
Net Charge 0
Average Mass 453.535
Monoisotopic Mass 453.10283
InChI InChI=1S/C19H23N3O6S2/c20-15-3-1-4-16(13-15)29(23,24)21-7-2-8-22(10-9-21)30(25,26)17-5-6-18-19(14-17)28-12-11-27-18/h1,3-6,13-14H,2,7-12,20H2
InChIKey GMHIOMMKSMSRLY-UHFFFAOYSA-N
SMILES C1CN(CCN(C1)S(=O)(=O)C2=CC=CC(=C2)N)S(=O)(=O)C3=CC4=C(C=C3)OCCO4
ChEBI Ontology
Outgoing 3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]sulfonyl]aniline (CHEBI:93419) is a benzenes (CHEBI:22712)
3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]sulfonyl]aniline (CHEBI:93419) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-3813 LINCS
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