(1R,5S)-6-methylsulfonyl-7-(4-phenylphenyl)-3,6-diazabicyclo[3.1.1]heptane (Q27223974)

BRD-K82670191-001-01-3 (English)

12 October 2016

chemical formula

C₁₈H₂₀N₂O₂S

1 reference

BRD-K82670191-001-01-3 (English)

12 October 2016

canonical SMILES

CS(=O)(=O)N1C2CNCC1C2C3=CC=C(C=C3)C4=CC=CC=C4

1 reference

BRD-K82670191-001-01-3 (English)

12 October 2016

isomeric SMILES

CS(=O)(=O)N1[C@@H]2CNC[C@H]1C2C3=CC=C(C=C3)C4=CC=CC=C4

1 reference

BRD-K82670191-001-01-3 (English)

InChI=1S/C18H20N2O2S/c1-23(21,22)20-16-11-19-12-17(20)18(16)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,16-19H,11-12H2,1H3/t16-,17+,18?

12 October 2016

Identifiers

InChI

1 reference

BRD-K82670191-001-01-3 (English)

YYUUHZHMWGNERJ-JWTNVVGKSA-N

12 October 2016

InChIKey

2 references

BRD-K82670191-001-01-3 (English)

12 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K82670191-001-01-3 (English)

matched by identifier from

12 October 2016

InChIKey

YYUUHZHMWGNERJ-JWTNVVGKSA-N

ChEBI ID

130239

mapping relation type

2 references

(1R,5S)-6-methylsulfonyl-7-(4-phenylphenyl)-3,6-diazabicyclo[3.1.1]heptane (English)