4-[4-[(1S,5R)-3-(2-fluorophenyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]-N,N-dimethylbenzamide (Q27215381)

BRD-K21154786-019-01-5 (English)

11 October 2016

chemical formula

C₂₆H₂₆FN₃O₃S

1 reference

BRD-K21154786-019-01-5 (English)

11 October 2016

canonical SMILES

CN(C)C(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C3C4CN(CC3N4)S(=O)(=O)C5=CC=CC=C5F

1 reference

BRD-K21154786-019-01-5 (English)

11 October 2016

isomeric SMILES

CN(C)C(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C3[C@H]4CN(C[C@@H]3N4)S(=O)(=O)C5=CC=CC=C5F

1 reference

BRD-K21154786-019-01-5 (English)

InChI=1S/C26H26FN3O3S/c1-29(2)26(31)20-13-9-18(10-14-20)17-7-11-19(12-8-17)25-22-15-30(16-23(25)28-22)34(32,33)24-6-4-3-5-21(24)27/h3-14,22-23,25,28H,15-16H2,1-2H3/t22-,23+,25?

11 October 2016

Identifiers

InChI

1 reference

BRD-K21154786-019-01-5 (English)

CDWHBYURKNRNSH-HCGNOCCLSA-N

11 October 2016

InChIKey

2 references

BRD-K21154786-019-01-5 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K21154786-019-01-5 (English)

matched by identifier from

11 October 2016

InChIKey

CDWHBYURKNRNSH-HCGNOCCLSA-N

ChEBI ID

125046

mapping relation type

2 references

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