(1S,5R)-3-(2-fluorophenyl)sulfonyl-7-[4-(3-methoxyphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane (Q27215412)

BRD-K37477851-019-01-2 (English)

11 October 2016

chemical formula

C₂₄H₂₃FN₂O₃S

1 reference

BRD-K37477851-019-01-2 (English)

11 October 2016

canonical SMILES

COC1=CC=CC(=C1)C2=CC=C(C=C2)C3C4CN(CC3N4)S(=O)(=O)C5=CC=CC=C5F

1 reference

BRD-K37477851-019-01-2 (English)

11 October 2016

isomeric SMILES

COC1=CC=CC(=C1)C2=CC=C(C=C2)C3[C@H]4CN(C[C@@H]3N4)S(=O)(=O)C5=CC=CC=C5F

1 reference

BRD-K37477851-019-01-2 (English)

InChI=1S/C24H23FN2O3S/c1-30-19-6-4-5-18(13-19)16-9-11-17(12-10-16)24-21-14-27(15-22(24)26-21)31(28,29)23-8-3-2-7-20(23)25/h2-13,21-22,24,26H,14-15H2,1H3/t21-,22+,24?

11 October 2016

Identifiers

InChI

1 reference

BRD-K37477851-019-01-2 (English)

HJLMFKKZRBIGPI-RIKCKFAHSA-N

11 October 2016

InChIKey

2 references

BRD-K37477851-019-01-2 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K37477851-019-01-2 (English)

matched by identifier from

11 October 2016

InChIKey

HJLMFKKZRBIGPI-RIKCKFAHSA-N

ChEBI ID

125074

mapping relation type

2 references

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