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CHEBI:125027 - (1S,5R)-7-[4-(3-methylphenyl)phenyl]-3-(4-methylphenyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptane

ChEBI IDCHEBI:125027
ChEBI Name(1S,5R)-7-[4-(3-methylphenyl)phenyl]-3-(4-methylphenyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptane
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FormulaC25H26N2O2S
Net Charge0
Average Mass418.562
Monoisotopic Mass418.17150
SMILESCc1ccc(S(=O)(=O)N2C[C@@H]3N[C@H](C2)C3c2ccc(-c3cccc(C)c3)cc2)cc1
InChIInChI=1S/C25H26N2O2S/c1-17-6-12-22(13-7-17)30(28,29)27-15-23-25(24(16-27)26-23)20-10-8-19(9-11-20)21-5-3-4-18(2)14-21/h3-14,23-26H,15-16H2,1-2H3/t23-,24+,25?
InChIKeyCXXKKGQDDQXONQ-XMGLRAKGSA-N
ChEBI Ontology
Outgoing Relation(s)
(1S,5R)-7-[4-(3-methylphenyl)phenyl]-3-(4-methylphenyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptane (CHEBI:125027) is a sulfonamide (CHEBI:35358)
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