CHEBI:109522 - [1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-4-piperidinyl]-[4-(1-piperidinyl)-1-piperidinyl]methanone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name [1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-4-piperidinyl]-[4-(1-piperidinyl)-1-piperidinyl]methanone
ChEBI ID CHEBI:109522
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H34N4O4S
Net Charge 0
Average Mass 438.586
Monoisotopic Mass 438.23008
InChI InChI=1S/C21H34N4O4S/c1-16-20(17(2)29-22-16)30(27,28)25-14-6-18(7-15-25)21(26)24-12-8-19(9-13-24)23-10-4-3-5-11-23/h18-19H,3-15H2,1-2H3
InChIKey ZUGPWZFCZDOZIC-UHFFFAOYSA-N
SMILES CC1=C(C(=NO1)C)S(=O)(=O)N2CCC(CC2)C(=O)N3CCC(CC3)N4CCCCC4
ChEBI Ontology
Outgoing [1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-4-piperidinyl]-[4-(1-piperidinyl)-1-piperidinyl]methanone (CHEBI:109522) is a N-acylpiperidine (CHEBI:48591)
Manual Xref Database
LSM-20920 LINCS
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