(1R,5S)-6-(4-methoxyphenyl)sulfonyl-7-(4-pyridin-4-ylphenyl)-3,6-diazabicyclo[3.1.1]heptane (Q27224847)

BRD-K91816149-001-01-4 (English)

12 October 2016

chemical formula

C₂₃H₂₃N₃O₃S

1 reference

BRD-K91816149-001-01-4 (English)

12 October 2016

canonical SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2C3CNCC2C3C4=CC=C(C=C4)C5=CC=NC=C5

1 reference

BRD-K91816149-001-01-4 (English)

12 October 2016

isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2[C@@H]3CNC[C@H]2C3C4=CC=C(C=C4)C5=CC=NC=C5

1 reference

BRD-K91816149-001-01-4 (English)

InChI=1S/C23H23N3O3S/c1-29-19-6-8-20(9-7-19)30(27,28)26-21-14-25-15-22(26)23(21)18-4-2-16(3-5-18)17-10-12-24-13-11-17/h2-13,21-23,25H,14-15H2,1H3/t21-,22+,23?

12 October 2016

Identifiers

InChI

1 reference

BRD-K91816149-001-01-4 (English)

FLNKSEOXHUSNTR-AIZNXBIQSA-N

12 October 2016

InChIKey

2 references

BRD-K91816149-001-01-4 (English)

12 October 2016

stated in

ChEBI release 2020-09-01

1 reference

BRD-K91816149-001-01-4 (English)

12 October 2016

ChEBI ID

131061

mapping relation type

2 references

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