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CHEBI:125086 - (1S,5R)-7-[4-(4-methoxyphenyl)phenyl]-3-(2-methylphenyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptane

ChEBI IDCHEBI:125086
ChEBI Name(1S,5R)-7-[4-(4-methoxyphenyl)phenyl]-3-(2-methylphenyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptane
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FormulaC25H26N2O3S
Net Charge0
Average Mass434.561
Monoisotopic Mass434.16641
SMILESCOc1ccc(-c2ccc(C3[C@@H]4CN(S(=O)(=O)c5ccccc5C)C[C@H]3N4)cc2)cc1
InChIInChI=1S/C25H26N2O3S/c1-17-5-3-4-6-24(17)31(28,29)27-15-22-25(23(16-27)26-22)20-9-7-18(8-10-20)19-11-13-21(30-2)14-12-19/h3-14,22-23,25-26H,15-16H2,1-2H3/t22-,23+,25?
InChIKeyRDVVUHRXGYCHJL-HCGNOCCLSA-N
ChEBI Ontology
Outgoing Relation(s)
(1S,5R)-7-[4-(4-methoxyphenyl)phenyl]-3-(2-methylphenyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptane (CHEBI:125086) is a piperidines (CHEBI:26151)
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