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CHEBI:125112 - (1R,5S)-7-[4-(2-methylphenyl)phenyl]-3-(3-methylphenyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptane

ChEBI IDCHEBI:125112
ChEBI Name(1R,5S)-7-[4-(2-methylphenyl)phenyl]-3-(3-methylphenyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptane
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FormulaC25H26N2O2S
Net Charge0
Average Mass418.562
Monoisotopic Mass418.17150
SMILESCc1cccc(S(=O)(=O)N2C[C@@H]3N[C@H](C2)C3c2ccc(-c3ccccc3C)cc2)c1
InChIInChI=1S/C25H26N2O2S/c1-17-6-5-8-21(14-17)30(28,29)27-15-23-25(24(16-27)26-23)20-12-10-19(11-13-20)22-9-4-3-7-18(22)2/h3-14,23-26H,15-16H2,1-2H3/t23-,24+,25?
InChIKeyVTDJBBYBMAZGCD-XMGLRAKGSA-N
ChEBI Ontology
Outgoing Relation(s)
(1R,5S)-7-[4-(2-methylphenyl)phenyl]-3-(3-methylphenyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptane (CHEBI:125112) is a piperidines (CHEBI:26151)
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