(1S,5R)-7-[4-(2-methoxyphenyl)phenyl]-3-(4-methylphenyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptane (Q27215446)

CHEMBL3188896 (English)

11 October 2016

chemical formula

C₂₅H₂₆N₂O₃S

1 reference

CHEMBL3188896 (English)

11 October 2016

canonical SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3C(C(C2)N3)C4=CC=C(C=C4)C5=CC=CC=C5OC

1 reference

CHEMBL3188896 (English)

11 October 2016

isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C[C@@H]3C([C@H](C2)N3)C4=CC=C(C=C4)C5=CC=CC=C5OC

1 reference

CHEMBL3188896 (English)

InChI=1S/C25H26N2O3S/c1-17-7-13-20(14-8-17)31(28,29)27-15-22-25(23(16-27)26-22)19-11-9-18(10-12-19)21-5-3-4-6-24(21)30-2/h3-14,22-23,25-26H,15-16H2,1-2H3/t22-,23+,25?

11 October 2016

Identifiers

InChI

1 reference

CHEMBL3188896 (English)

FKWMNBPNRPMFHZ-HCGNOCCLSA-N

11 October 2016

InChIKey

2 references

CHEMBL3188896 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

CHEMBL3188896 (English)

matched by identifier from

11 October 2016

InChIKey

FKWMNBPNRPMFHZ-HCGNOCCLSA-N

ChEBI ID

125105

mapping relation type

2 references

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