I think you mean you have these files outside of calibre. In that case, you could:
- Add the books to calibre. As the books appear to be using the ISBN for the file name, you should change the template on the "Adding books" page of the preferences to something like "(?P<isbn>\d+)".
- Make sure the title is correct. Calibre will attempt to extract this from the book, but, it might not be correct. If it doesn't, you can try using the metadata download to get the correct details.
- Use "Save to disk" to export the books from calibre. When doing this, you need to use a save template to set the file name. The one suggested by @ownedbycats is fairly close to what you want. But, there is no need for the separate column. "{title}_{author_sort}_{isbn}" should work.