CHEBI:107683 - 4-[2-nitro-5-[4-(phenylmethyl)sulfonyl-1-piperazinyl]phenyl]morpholine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-[2-nitro-5-[4-(phenylmethyl)sulfonyl-1-piperazinyl]phenyl]morpholine
ChEBI ID CHEBI:107683
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H26N4O5S
Net Charge 0
Average Mass 446.522
Monoisotopic Mass 446.16239
InChI InChI=1S/C21H26N4O5S/c26-25(27)20-7-6-19(16-21(20)23-12-14-30-15-13-23)22-8-10-24(11-9-22)31(28,29)17-18-4-2-1-3-5-18/h1-7,16H,8-15,17H2
InChIKey PJOMEJPWHQZLHB-UHFFFAOYSA-N
SMILES C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)S(=O)(=O)CC4=CC=CC=C4
ChEBI Ontology
Outgoing 4-[2-nitro-5-[4-(phenylmethyl)sulfonyl-1-piperazinyl]phenyl]morpholine (CHEBI:107683) is a piperazines (CHEBI:26144)
Manual Xref Database
LSM-19062 LINCS
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