(1S,5R)-7-[4-(2-methylphenyl)phenyl]-3-(phenylmethyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptane (Q27215475)

BRD-K84792586-019-01-8 (English)

11 October 2016

chemical formula

C₂₅H₂₆N₂O₂S

1 reference

BRD-K84792586-019-01-8 (English)

11 October 2016

canonical SMILES

CC1=CC=CC=C1C2=CC=C(C=C2)C3C4CN(CC3N4)S(=O)(=O)CC5=CC=CC=C5

1 reference

BRD-K84792586-019-01-8 (English)

11 October 2016

isomeric SMILES

CC1=CC=CC=C1C2=CC=C(C=C2)C3[C@H]4CN(C[C@@H]3N4)S(=O)(=O)CC5=CC=CC=C5

1 reference

BRD-K84792586-019-01-8 (English)

InChI=1S/C25H26N2O2S/c1-18-7-5-6-10-22(18)20-11-13-21(14-12-20)25-23-15-27(16-24(25)26-23)30(28,29)17-19-8-3-2-4-9-19/h2-14,23-26H,15-17H2,1H3/t23-,24+,25?

11 October 2016

Identifiers

InChI

1 reference

BRD-K84792586-019-01-8 (English)

PSPMSICPJSRYNS-XMGLRAKGSA-N

11 October 2016

InChIKey

2 references

BRD-K84792586-019-01-8 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K84792586-019-01-8 (English)

matched by identifier from

11 October 2016

InChIKey

PSPMSICPJSRYNS-XMGLRAKGSA-N

ChEBI ID

125132

mapping relation type

2 references

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