(1S,5R)-7-[4-(3-methoxyphenyl)phenyl]-3-(phenylmethyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptane (Q27215481)

BRD-K92543914-019-01-8 (English)

11 October 2016

chemical formula

C₂₅H₂₆N₂O₃S

1 reference

BRD-K92543914-019-01-8 (English)

11 October 2016

canonical SMILES

COC1=CC=CC(=C1)C2=CC=C(C=C2)C3C4CN(CC3N4)S(=O)(=O)CC5=CC=CC=C5

1 reference

BRD-K92543914-019-01-8 (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)CC5=CC=CC=C5

1 reference

BRD-K92543914-019-01-8 (English)

InChI=1S/C25H26N2O3S/c1-30-22-9-5-8-21(14-22)19-10-12-20(13-11-19)25-23-15-27(16-24(25)26-23)31(28,29)17-18-6-3-2-4-7-18/h2-14,23-26H,15-17H2,1H3/t23-,24+,25?

11 October 2016

Identifiers

InChI

1 reference

BRD-K92543914-019-01-8 (English)

BBZOKLBYXCKCPD-XMGLRAKGSA-N

11 October 2016

InChIKey

2 references

BRD-K92543914-019-01-8 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K92543914-019-01-8 (English)

matched by identifier from

11 October 2016

InChIKey

BBZOKLBYXCKCPD-XMGLRAKGSA-N

ChEBI ID

125138

mapping relation type

2 references

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