(1R,5S)-7-[4-(2-fluorophenyl)phenyl]-6-(3-fluorophenyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptane (Q27223726)

BRD-K79500219-001-01-5 (English)

12 October 2016

chemical formula

C₂₃H₂₀F₂N₂O₂S

1 reference

BRD-K79500219-001-01-5 (English)

12 October 2016

canonical SMILES

C1C2C(C(N2S(=O)(=O)C3=CC=CC(=C3)F)CN1)C4=CC=C(C=C4)C5=CC=CC=C5F

1 reference

BRD-K79500219-001-01-5 (English)

12 October 2016

isomeric SMILES

C1[C@@H]2C([C@@H](N2S(=O)(=O)C3=CC=CC(=C3)F)CN1)C4=CC=C(C=C4)C5=CC=CC=C5F

1 reference

BRD-K79500219-001-01-5 (English)

InChI=1S/C23H20F2N2O2S/c24-17-4-3-5-18(12-17)30(28,29)27-21-13-26-14-22(27)23(21)16-10-8-15(9-11-16)19-6-1-2-7-20(19)25/h1-12,21-23,26H,13-14H2/t21-,22+,23?

12 October 2016

Identifiers

InChI

1 reference

BRD-K79500219-001-01-5 (English)

NXJMFQMEORUICT-AIZNXBIQSA-N

12 October 2016

InChIKey

2 references

BRD-K79500219-001-01-5 (English)

12 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K79500219-001-01-5 (English)

matched by identifier from

12 October 2016

InChIKey

NXJMFQMEORUICT-AIZNXBIQSA-N

ChEBI ID

130057

mapping relation type

2 references

(1R,5S)-7-[4-(2-fluorophenyl)phenyl]-6-(3-fluorophenyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptane (English)