(1S,5R)-3-methylsulfonyl-7-(4-phenylphenyl)-3,6-diazabicyclo[3.1.1]heptane (Q27215373)

CHEMBL2360122 (English)

11 October 2016

chemical formula

C₁₈H₂₀N₂O₂S

1 reference

CHEMBL2360122 (English)

11 October 2016

canonical SMILES

CS(=O)(=O)N1CC2C(C(C1)N2)C3=CC=C(C=C3)C4=CC=CC=C4

1 reference

CHEMBL2360122 (English)

11 October 2016

isomeric SMILES

CS(=O)(=O)N1C[C@@H]2C([C@H](C1)N2)C3=CC=C(C=C3)C4=CC=CC=C4

1 reference

CHEMBL2360122 (English)

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

11 October 2016

Identifiers

InChI

1 reference

CHEMBL2360122 (English)

PJULWIACZWVPPT-JWTNVVGKSA-N

11 October 2016

InChIKey

2 references

CHEMBL2360122 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

CHEMBL2360122 (English)

matched by identifier from

11 October 2016

InChIKey

PJULWIACZWVPPT-JWTNVVGKSA-N

ChEBI ID

125038

mapping relation type

2 references

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