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CHEBI:129949 - (1S,5R)-6-(2-methylphenyl)sulfonyl-7-[4-(3-pyridinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane

ChEBI IDCHEBI:129949
ChEBI Name(1S,5R)-6-(2-methylphenyl)sulfonyl-7-[4-(3-pyridinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane
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FormulaC23H23N3O2S
Net Charge0
Average Mass405.523
Monoisotopic Mass405.15110
SMILESCc1ccccc1S(=O)(=O)N1[C@@H]2CNC[C@H]1C2c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C23H23N3O2S/c1-16-5-2-3-7-22(16)29(27,28)26-20-14-25-15-21(26)23(20)18-10-8-17(9-11-18)19-6-4-12-24-13-19/h2-13,20-21,23,25H,14-15H2,1H3/t20-,21+,23?
InChIKeyHVABUQNFVHORBC-TYABSZSSSA-N
ChEBI Ontology
Outgoing Relation(s)
(1S,5R)-6-(2-methylphenyl)sulfonyl-7-[4-(3-pyridinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane (CHEBI:129949) is a piperidines (CHEBI:26151)
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