4-[4-[(1S,5R)-3-(4-fluorophenyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile (Q27215352)

CHEMBL3189056 (English)

11 October 2016

chemical formula

C₂₄H₂₀FN₃O₂S

1 reference

CHEMBL3189056 (English)

11 October 2016

canonical SMILES

C1C2C(C(N2)CN1S(=O)(=O)C3=CC=C(C=C3)F)C4=CC=C(C=C4)C5=CC=C(C=C5)C#N

1 reference

CHEMBL3189056 (English)

11 October 2016

isomeric SMILES

C1[C@@H]2C([C@@H](N2)CN1S(=O)(=O)C3=CC=C(C=C3)F)C4=CC=C(C=C4)C5=CC=C(C=C5)C#N

1 reference

CHEMBL3189056 (English)

InChI=1S/C24H20FN3O2S/c25-20-9-11-21(12-10-20)31(29,30)28-14-22-24(23(15-28)27-22)19-7-5-18(6-8-19)17-3-1-16(13-26)2-4-17/h1-12,22-24,27H,14-15H2/t22-,23+,24?

11 October 2016

Identifiers

InChI

1 reference

CHEMBL3189056 (English)

CHBWTJVJUXMSDX-VSGJHWFKSA-N

11 October 2016

InChIKey

2 references

CHEMBL3189056 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

1 reference

CHEMBL3189056 (English)

11 October 2016

ChEBI ID

125017

mapping relation type

2 references

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