4-[(4-phenethyl-1,4-diazepan-1-yl)sulfonyl]-2,1,3-benzoxadiazole (CHEBI:192646)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	4-[(4-phenethyl-1,4-diazepan-1-yl)sulfonyl]-2,1,3-benzoxadiazole

ChEBI ID	CHEBI:192646

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C19H22N4O3S

Net Charge

Average Mass

386.470

Monoisotopic Mass

386.14126

InChI

InChI=1S/C19H22N4O3S/c24-27(25,18-9-4-8-17-19(18)21-26-20-17)23-12-5-11-22(14-15-23)13-10-16-6-2-1-3-7-16/h1-4,6-9H,5,10-15H2

InChIKey

YDCGBDSTHLYBLM-UHFFFAOYSA-N

SMILES

S(=O)(=O)(N1CCN(CCC1)CCC2=CC=CC=C2)C=3C4=NON=C4C=CC3

Metabolite of Species	Details
Valsa sordida (NCBI:txid252740)	Found in Whole Organism (NCIT:C13413). See: MetaboLights Study

ChEBI Ontology
Outgoing	4-[(4-phenethyl-1,4-diazepan-1-yl)sulfonyl]-2,1,3-benzoxadiazole (CHEBI:192646) is a benzoxadiazole (CHEBI:46829)

IUPAC Name

4-[[4-(2-phenylethyl)-1,4-diazepan-1-yl]sulonyl]-2,1,3-benzoxadiazole