CHEBI:131061 - (1R,5S)-6-(4-methoxyphenyl)sulfonyl-7-(4-pyridin-4-ylphenyl)-3,6-diazabicyclo[3.1.1]heptane

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (1R,5S)-6-(4-methoxyphenyl)sulfonyl-7-(4-pyridin-4-ylphenyl)-3,6-diazabicyclo[3.1.1]heptane
ChEBI ID CHEBI:131061
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C23H23N3O3S
Net Charge 0
Average Mass 421.514
Monoisotopic Mass 421.14601
InChI InChI=1S/C23H23N3O3S/c1-29-19-6-8-20(9-7-19)30(27,28)26-21-14-25-15-22(26)23(21)18-4-2-16(3-5-18)17-10-12-24-13-11-17/h2-13,21-23,25H,14-15H2,1H3/t21-,22+,23?
InChIKey FLNKSEOXHUSNTR-AIZNXBIQSA-N
SMILES COC1=CC=C(C=C1)S(=O)(=O)N2[C@@H]3CNC[C@H]2C3C4=CC=C(C=C4)C5=CC=NC=C5
ChEBI Ontology
Outgoing (1R,5S)-6-(4-methoxyphenyl)sulfonyl-7-(4-pyridin-4-ylphenyl)-3,6-diazabicyclo[3.1.1]heptane (CHEBI:131061) is a piperidines (CHEBI:26151)
Manual Xref Database
LSM-42609 LINCS
View more database links