(1S,5R)-3-(2-methoxyphenyl)sulfonyl-7-[4-(3-pyridinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane (Q27215476)

BRD-K87927861-019-01-3 (English)

11 October 2016

chemical formula

C₂₃H₂₃N₃O₃S

1 reference

BRD-K87927861-019-01-3 (English)

11 October 2016

canonical SMILES

COC1=CC=CC=C1S(=O)(=O)N2CC3C(C(C2)N3)C4=CC=C(C=C4)C5=CN=CC=C5

1 reference

BRD-K87927861-019-01-3 (English)

11 October 2016

isomeric SMILES

COC1=CC=CC=C1S(=O)(=O)N2C[C@@H]3C([C@H](C2)N3)C4=CC=C(C=C4)C5=CN=CC=C5

1 reference

BRD-K87927861-019-01-3 (English)

InChI=1S/C23H23N3O3S/c1-29-21-6-2-3-7-22(21)30(27,28)26-14-19-23(20(15-26)25-19)17-10-8-16(9-11-17)18-5-4-12-24-13-18/h2-13,19-20,23,25H,14-15H2,1H3/t19-,20+,23?

11 October 2016

Identifiers

InChI

1 reference

BRD-K87927861-019-01-3 (English)

QAONANBUMFNFFS-DETIRCLXSA-N

11 October 2016

InChIKey

2 references

BRD-K87927861-019-01-3 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K87927861-019-01-3 (English)

matched by identifier from

11 October 2016

InChIKey

QAONANBUMFNFFS-DETIRCLXSA-N

ChEBI ID

125133

mapping relation type

2 references

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