2-cyano-1-pyridin-4-yl-3-(4-{[3-(trifluoromethoxy)phenyl]sulfonyl}benzyl)guanidine (Q27462714)

CHEMBL3098609 (English)

19 October 2016

chemical formula

C₂₁H₁₆F₃N₅O₃S

1 reference

CHEMBL3098609 (English)

19 October 2016

canonical SMILES

C1=CC(=CC(=C1)S(=O)(=O)C2=CC=C(C=C2)CN=C(NC#N)NC3=CC=NC=C3)OC(F)(F)F

1 reference

CHEMBL3098609 (English)

19 October 2016

isomeric SMILES

FC(F)(F)OC1=CC=CC(=C1)S(=O)(=O)C2=CC=C(CN/C(=N\C#N)/NC3=CC=NC=C3)C=C2

1 reference

CHEMBL3098609 (English)

InChI=1S/C21H16F3N5O3S/c22-21(23,24)32-17-2-1-3-19(12-17)33(30,31)18-6-4-15(5-7-18)13-27-20(28-14-25)29-16-8-10-26-11-9-16/h1-12H,13H2,(H2,26,27,28,29)

19 October 2016

Identifiers

InChI

1 reference

CHEMBL3098609 (English)

OSHZYJJYBZWSLR-UHFFFAOYSA-N

19 October 2016

InChIKey

1 reference

CHEMBL3098609 (English)

19 October 2016

1 reference

1-Cyano-2-(4-pyridinyl)-3-(4-{[3-(trifluoromethoxy)phenyl]sulfonyl}benzyl)guanidine (English)

19 October 2016

1 reference

CHEMBL3098609 (English)

19 October 2016

1 reference

CHEMBL3098609 (English)

19 October 2016

1 reference

0 references

1 reference

4LTS (English)