2-(2-CHLORO-4-FLUOROPHENOXY)-2-METHYL-N-[(1R,2S,3S,5S,7S)-5-(METHYLSULFONYL)-2-ADAMANTYL]PROPANAMIDE (Q27097500)

2-(2-Chloro-4-fluorophenoxy)-2-methyl-N-[5-(methylsulfonyl)adamantan-2-yl]propanamide (English)

19 October 2016

chemical formula

C₂₁H₂₇ClFNO₄S

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)S(=O)(=O)C)OC4=CC=C(C=C4Cl)F

1 reference

2-(2-Chloro-4-fluorophenoxy)-2-methyl-N-[5-(methylsulfonyl)adamantan-2-yl]propanamide (English)

InChI=1S/C21H27ClFNO4S/c1-20(2,28-17-5-4-15(23)8-16(17)22)19(25)24-18-13-6-12-7-14(18)11-21(9-12,10-13)29(3,26)27/h4-5,8,12-14,18H,6-7,9-11H2,1-3H3,(H,24,25)/t12-,13-,14+,18-,21-

19 October 2016

isomeric SMILES

CC(C)(Oc1ccc(F)cc1Cl)C(=O)N[C@@H]1[C@@H]2C[C@@H]3C[C@H]1C[C@@](S(C)(=O)=O)(C3)C2

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

1 reference

2-(2-Chloro-4-fluorophenoxy)-2-methyl-N-[5-(methylsulfonyl)adamantan-2-yl]propanamide (English)

ULLPKOZNMAWTIP-JGSHYQHOSA-N

19 October 2016

InChIKey

1 reference

2-(2-Chloro-4-fluorophenoxy)-2-methyl-N-[5-(methylsulfonyl)adamantan-2-yl]propanamide (English)

19 October 2016

1 reference

2-(2-Chloro-4-fluorophenoxy)-2-methyl-N-[5-(methylsulfonyl)adamantan-2-yl]propanamide (English)

matched by identifier from

19 October 2016

DrugBank ID

DB08277

1 reference

InChIKey

ULLPKOZNMAWTIP-JGSHYQHOSA-N

0 references

0 references

1 reference

2ILT (English)