CHEBI:129317 - (1S,5R)-7-[4-(4-methylphenyl)phenyl]-6-(4-methylphenyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptane

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ChEBI Name (1S,5R)-7-[4-(4-methylphenyl)phenyl]-6-(4-methylphenyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptane
ChEBI ID CHEBI:129317
Stars This entity has been manually annotated by a third party.
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Formula C25H26N2O2S
Net Charge 0
Average Mass 418.553
Monoisotopic Mass 418.17150
InChI InChI=1S/C25H26N2O2S/c1-17-3-7-19(8-4-17)20-9-11-21(12-10-20)25-23-15-26-16-24(25)27(23)30(28,29)22-13-5-18(2)6-14-22/h3-14,23-26H,15-16H2,1-2H3/t23-,24+,25?
InChIKey OPHGZUCHEMWURQ-XMGLRAKGSA-N
SMILES CC1=CC=C(C=C1)C2=CC=C(C=C2)C3[C@H]4CNC[C@@H]3N4S(=O)(=O)C5=CC=C(C=C5)C
ChEBI Ontology
Outgoing (1S,5R)-7-[4-(4-methylphenyl)phenyl]-6-(4-methylphenyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptane (CHEBI:129317) is a sulfonamide (CHEBI:35358)
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