(1S,5R)-7-[4-(3-methoxyphenyl)phenyl]-3-[(1-methyl-4-imidazolyl)sulfonyl]-3,6-diazabicyclo[3.1.1]heptane (Q27215392)

CHEMBL2354455 (English)

11 October 2016

chemical formula

C₂₂H₂₄N₄O₃S

1 reference

CHEMBL2354455 (English)

11 October 2016

canonical SMILES

CN1C=C(N=C1)S(=O)(=O)N2CC3C(C(C2)N3)C4=CC=C(C=C4)C5=CC(=CC=C5)OC

1 reference

CHEMBL2354455 (English)

11 October 2016

isomeric SMILES

CN1C=C(N=C1)S(=O)(=O)N2C[C@@H]3C([C@H](C2)N3)C4=CC=C(C=C4)C5=CC(=CC=C5)OC

1 reference

CHEMBL2354455 (English)

InChI=1S/C22H24N4O3S/c1-25-13-21(23-14-25)30(27,28)26-11-19-22(20(12-26)24-19)16-8-6-15(7-9-16)17-4-3-5-18(10-17)29-2/h3-10,13-14,19-20,22,24H,11-12H2,1-2H3/t19-,20+,22?

11 October 2016

Identifiers

InChI

1 reference

CHEMBL2354455 (English)

YKIBEPHUZNWDRX-RLAPIPATSA-N

11 October 2016

InChIKey

2 references

CHEMBL2354455 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

CHEMBL2354455 (English)

matched by identifier from

11 October 2016

InChIKey

YKIBEPHUZNWDRX-RLAPIPATSA-N

ChEBI ID

125055

mapping relation type

2 references

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