CHEBI:125012 - (1S,5R)-7-[4-(2-fluorophenyl)phenyl]-3-[(1-methyl-4-imidazolyl)sulfonyl]-3,6-diazabicyclo[3.1.1]heptane

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ChEBI Name (1S,5R)-7-[4-(2-fluorophenyl)phenyl]-3-[(1-methyl-4-imidazolyl)sulfonyl]-3,6-diazabicyclo[3.1.1]heptane
ChEBI ID CHEBI:125012
Stars This entity has been manually annotated by a third party.
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Formula C21H21FN4O2S
Net Charge 0
Average Mass 412.482
Monoisotopic Mass 412.13693
InChI InChI=1S/C21H21FN4O2S/c1-25-12-20(23-13-25)29(27,28)26-10-18-21(19(11-26)24-18)15-8-6-14(7-9-15)16-4-2-3-5-17(16)22/h2-9,12-13,18-19,21,24H,10-11H2,1H3/t18-,19+,21?
InChIKey GMNZGGJWOJJWDN-PMSBKCLSSA-N
SMILES CN1C=C(N=C1)S(=O)(=O)N2C[C@@H]3C([C@H](C2)N3)C4=CC=C(C=C4)C5=CC=CC=C5F
ChEBI Ontology
Outgoing (1S,5R)-7-[4-(2-fluorophenyl)phenyl]-3-[(1-methyl-4-imidazolyl)sulfonyl]-3,6-diazabicyclo[3.1.1]heptane (CHEBI:125012) is a piperidines (CHEBI:26151)
Manual Xref Database
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