(2R)-4-(2,6-dimethoxypyrimidin-4-yl)-N-(4-methoxybenzyl)-1-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazine-2-carboxamide (Q27452744)

(2r)-4-(2,6-Dimethoxypyrimidin-4-Yl)-N-(4-Methoxybenzyl)-1-{[4-(Trifluoromethoxy)phenyl]sulfonyl}piperazine-2-Carboxamide (English)

19 October 2016

chemical formula

C₂₆H₂₈F₃N₅O₇S

1 reference

(2r)-4-(2,6-Dimethoxypyrimidin-4-Yl)-N-(4-Methoxybenzyl)-1-{[4-(Trifluoromethoxy)phenyl]sulfonyl}piperazine-2-Carboxamide (English)

19 October 2016

canonical SMILES

COC1=CC=C(C=C1)CNC(=O)C2CN(CCN2S(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F)C4=CC(=NC(=N4)OC)OC

1 reference

(2r)-4-(2,6-Dimethoxypyrimidin-4-Yl)-N-(4-Methoxybenzyl)-1-{[4-(Trifluoromethoxy)phenyl]sulfonyl}piperazine-2-Carboxamide (English)

19 October 2016

isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)[C@H]2CN(CCN2S(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F)C4=CC(=NC(=N4)OC)OC

1 reference

(2r)-4-(2,6-Dimethoxypyrimidin-4-Yl)-N-(4-Methoxybenzyl)-1-{[4-(Trifluoromethoxy)phenyl]sulfonyl}piperazine-2-Carboxamide (English)

InChI=1S/C26H28F3N5O7S/c1-38-18-6-4-17(5-7-18)15-30-24(35)21-16-33(22-14-23(39-2)32-25(31-22)40-3)12-13-34(21)42(36,37)20-10-8-19(9-11-20)41-26(27,28)29/h4-11,14,21H,12-13,15-16H2,1-3H3,(H,30,35)/t21-/m1/s1

19 October 2016

Identifiers

InChI

1 reference

(2r)-4-(2,6-Dimethoxypyrimidin-4-Yl)-N-(4-Methoxybenzyl)-1-{[4-(Trifluoromethoxy)phenyl]sulfonyl}piperazine-2-Carboxamide (English)

KPMIAKLULQWSOC-OAQYLSRUSA-N

19 October 2016

InChIKey

1 reference

(2r)-4-(2,6-Dimethoxypyrimidin-4-Yl)-N-(4-Methoxybenzyl)-1-{[4-(Trifluoromethoxy)phenyl]sulfonyl}piperazine-2-Carboxamide (English)

19 October 2016

1 reference

(2R)-4-(2,6-Dimethoxy-4-pyrimidinyl)-N-(4-methoxybenzyl)-1-{[4-(trifluoromethoxy)phenyl]sulfonyl}-2-piperazinecarboxamide (English)

19 October 2016

1 reference

(2r)-4-(2,6-Dimethoxypyrimidin-4-Yl)-N-(4-Methoxybenzyl)-1-{[4-(Trifluoromethoxy)phenyl]sulfonyl}piperazine-2-Carboxamide (English)

19 October 2016

1 reference

0 references

1 reference

3QGE (English)