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

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ChEBI Name (1R,5S)-7-[4-(2-methylphenyl)phenyl]-3-(3-methylphenyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptane
ChEBI ID CHEBI:125112
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/c1-17-6-5-8-21(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?
InChIKey VTDJBBYBMAZGCD-XMGLRAKGSA-N
SMILES CC1=CC(=CC=C1)S(=O)(=O)N2C[C@@H]3C([C@H](C2)N3)C4=CC=C(C=C4)C5=CC=CC=C5C
ChEBI Ontology
Outgoing (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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