CHEBI:125083 - 4-[4-[(1S,5R)-3-(3-methoxyphenyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]-N,N-dimethylbenzamide

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ChEBI Name 4-[4-[(1S,5R)-3-(3-methoxyphenyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]-N,N-dimethylbenzamide
ChEBI ID CHEBI:125083
Stars This entity has been manually annotated by a third party.
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Formula C27H29N3O4S
Net Charge 0
Average Mass 491.604
Monoisotopic Mass 491.18788
InChI InChI=1S/C27H29N3O4S/c1-29(2)27(31)21-13-9-19(10-14-21)18-7-11-20(12-8-18)26-24-16-30(17-25(26)28-24)35(32,33)23-6-4-5-22(15-23)34-3/h4-15,24-26,28H,16-17H2,1-3H3/t24-,25+,26?
InChIKey NLKGQMJFSSLYIS-IQCGEYIDSA-N
SMILES CN(C)C(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C3[C@H]4CN(C[C@@H]3N4)S(=O)(=O)C5=CC=CC(=C5)OC
ChEBI Ontology
Outgoing 4-[4-[(1S,5R)-3-(3-methoxyphenyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]-N,N-dimethylbenzamide (CHEBI:125083) is a piperidines (CHEBI:26151)
Manual Xref Database
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